N-[5-[4-(dimethylamino)piperidin-1-yl]-6-fluoro-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;N-(5-piperidin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;9-propan-2-yl-N-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-h]quinazolin-2-amine;1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-ol;3-[1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]propan-1-ol

C123H146FN31O2 — CID 167685772

About N-[5-[4-(dimethylamino)piperidin-1-yl]-6-fluoro-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;N-(5-piperidin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;9-propan-2-yl-N-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-h]quinazolin-2-amine;1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-ol;3-[1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]propan-1-ol

N-[5-[4-(dimethylamino)piperidin-1-yl]-6-fluoro-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;N-(5-piperidin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;9-propan-2-yl-N-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-h]quinazolin-2-amine;1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-ol;3-[1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]propan-1-ol (PubChem CID 167685772) has the molecular formula C123H146FN31O2 and a molecular weight of 2109.73 g/mol. Its IUPAC name is N-[5-[4-(dimethylamino)piperidin-1-yl]-6-fluoro-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;N-(5-piperidin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;9-propan-2-yl-N-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-h]quinazolin-2-amine;1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-ol;3-[1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]propan-1-ol.

Molecular Properties

• Compound Name: N-[5-[4-(dimethylamino)piperidin-1-yl]-6-fluoro-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;N-(5-piperidin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;9-propan-2-yl-N-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-h]quinazolin-2-amine;1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-ol;3-[1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]propan-1-ol
• PubChem CID: 167685772
• Molecular Formula: C123H146FN31O2
• Molecular Weight: 2109.73 g/mol
• Exact Mass: 2108.23
• IUPAC Name: N-[5-[4-(dimethylamino)piperidin-1-yl]-6-fluoro-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;N-(5-piperidin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;9-propan-2-yl-N-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-h]quinazolin-2-amine;1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-ol;3-[1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]propan-1-ol
• SMILES: CC(C)C1CCN(c2ccc(Nc3ncc4ccc5ccn(C(C)C)c5c4n3)nc2)CC1.CC(C)n1ccc2ccc3cnc(Nc4ccc(N5CCC(CCCO)CC5)cn4)nc3c21.CC(C)n1ccc2ccc3cnc(Nc4ccc(N5CCC(N(C)C)CC5)c(F)n4)nc3c21.CC(C)n1ccc2ccc3cnc(Nc4ccc(N5CCC(O)CC5)cn4)nc3c21.CC(C)n1ccc2ccc3cnc(Nc4ccc(N5CCCCC5)cn4)nc3c21
• InChI: InChI=1S/C26H32N6O.C26H32N6.C25H30FN7.C23H26N6O.C23H26N6/c1-18(2)32-14-11-20-5-6-21-16-28-26(30-24(21)25(20)32)29-23-8-7-22(17-27-23)31-12-9-19(10-13-31)4-3-15-33;1-17(2)19-9-12-31(13-10-19)22-7-8-23(27-16-22)29-26-28-15-21-6-5-20-11-14-32(18(3)4)25(20)24(21)30-26;1-16(2)33-14-9-17-5-6-18-15-27-25(30-22(18)23(17)33)29-21-8-7-20(24(26)28-21)32-12-10-19(11-13-32)31(3)4;1-15(2)29-12-7-16-3-4-17-13-25-23(27-21(17)22(16)29)26-20-6-5-18(14-24-20)28-10-8-19(30)9-11-28;1-16(2)29-13-10-17-6-7-18-14-25-23(27-21(18)22(17)29)26-20-9-8-19(15-24-20)28-11-4-3-5-12-28/h5-8,11,14,16-19,33H,3-4,9-10,12-13,15H2,1-2H3,(H,27,28,29,30);5-8,11,14-19H,9-10,12-13H2,1-4H3,(H,27,28,29,30);5-9,14-16,19H,10-13H2,1-4H3,(H,27,28,29,30);3-7,12-15,19,30H,8-11H2,1-2H3,(H,24,25,26,27);6-10,13-16H,3-5,11-12H2,1-2H3,(H,24,25,26,27)
• InChIKey: WEOUYEYLWLSJSU-UHFFFAOYSA-N
• XLogP: 26.00
• TPSA: 338.05 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2109.73
LogP ≤ 5	26.00
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(dimethylamino)piperidin-1-yl]-6-fluoro-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;N-(5-piperidin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;9-propan-2-yl-N-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-h]quinazolin-2-amine;1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-ol;3-[1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]propan-1-ol?

The IUPAC name of N-[5-[4-(dimethylamino)piperidin-1-yl]-6-fluoro-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;N-(5-piperidin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;9-propan-2-yl-N-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-h]quinazolin-2-amine;1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-ol;3-[1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]propan-1-ol (CID 167685772) is N-[5-[4-(dimethylamino)piperidin-1-yl]-6-fluoro-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;N-(5-piperidin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;9-propan-2-yl-N-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-h]quinazolin-2-amine;1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-ol;3-[1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]propan-1-ol.

What is the SMILES notation for N-[5-[4-(dimethylamino)piperidin-1-yl]-6-fluoro-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;N-(5-piperidin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;9-propan-2-yl-N-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-h]quinazolin-2-amine;1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-ol;3-[1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]propan-1-ol?

The canonical SMILES for N-[5-[4-(dimethylamino)piperidin-1-yl]-6-fluoro-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;N-(5-piperidin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;9-propan-2-yl-N-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-h]quinazolin-2-amine;1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-ol;3-[1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]propan-1-ol is CC(C)C1CCN(c2ccc(Nc3ncc4ccc5ccn(C(C)C)c5c4n3)nc2)CC1.CC(C)n1ccc2ccc3cnc(Nc4ccc(N5CCC(CCCO)CC5)cn4)nc3c21.CC(C)n1ccc2ccc3cnc(Nc4ccc(N5CCC(N(C)C)CC5)c(F)n4)nc3c21.CC(C)n1ccc2ccc3cnc(Nc4ccc(N5CCC(O)CC5)cn4)nc3c21.CC(C)n1ccc2ccc3cnc(Nc4ccc(N5CCCCC5)cn4)nc3c21.

What is the InChIKey of N-[5-[4-(dimethylamino)piperidin-1-yl]-6-fluoro-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;N-(5-piperidin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;9-propan-2-yl-N-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-h]quinazolin-2-amine;1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-ol;3-[1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]propan-1-ol?

The InChIKey is WEOUYEYLWLSJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O.C26H32N6.C25H30FN7.C23H26N6O.C23H26N6/c1-18(2)32-14-11-20-5-6-21-16-28-26(30-24(21)25(20)32)29-23-8-7-22(17-27-23)31-12-9-19(10-13-31)4-3-15-33;1-17(2)19-9-12-31(13-10-19)22-7-8-23(27-16-22)29-26-28-15-21-6-5-20-11-14-32(18(3)4)25(20)24(21)30-26;1-16(2)33-14-9-17-5-6-18-15-27-25(30-22(18)23(17)33)29-21-8-7-20(24(26)28-21)32-12-10-19(11-13-32)31(3)4;1-15(2)29-12-7-16-3-4-17-13-25-23(27-21(17)22(16)29)26-20-6-5-18(14-24-20)28-10-8-19(30)9-11-28;1-16(2)29-13-10-17-6-7-18-14-25-23(27-21(18)22(17)29)26-20-9-8-19(15-24-20)28-11-4-3-5-12-28/h5-8,11,14,16-19,33H,3-4,9-10,12-13,15H2,1-2H3,(H,27,28,29,30);5-8,11,14-19H,9-10,12-13H2,1-4H3,(H,27,28,29,30);5-9,14-16,19H,10-13H2,1-4H3,(H,27,28,29,30);3-7,12-15,19,30H,8-11H2,1-2H3,(H,24,25,26,27);6-10,13-16H,3-5,11-12H2,1-2H3,(H,24,25,26,27).

What are the key properties of N-[5-[4-(dimethylamino)piperidin-1-yl]-6-fluoro-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;N-(5-piperidin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;9-propan-2-yl-N-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-h]quinazolin-2-amine;1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-ol;3-[1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]propan-1-ol?

N-[5-[4-(dimethylamino)piperidin-1-yl]-6-fluoro-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;N-(5-piperidin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;9-propan-2-yl-N-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-h]quinazolin-2-amine;1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-ol;3-[1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]propan-1-ol has a molecular weight of 2109.73 g/mol, XLogP of 26.00, 25 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-(dimethylamino)piperidin-1-yl]-6-fluoro-2-pyridinyl]-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;N-(5-piperidin-1-yl-2-pyridinyl)-9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-amine;9-propan-2-yl-N-[5-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]pyrrolo[3,2-h]quinazolin-2-amine;1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-ol;3-[1-[6-[(9-propan-2-ylpyrrolo[3,2-h]quinazolin-2-yl)amino]-3-pyridinyl]piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 167685772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).