N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-4-(3-methoxy-5-methylphenyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;4-(3-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine

C60H67N15O3 — CID 164953656

About N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-4-(3-methoxy-5-methylphenyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;4-(3-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine

N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-4-(3-methoxy-5-methylphenyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;4-(3-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine (PubChem CID 164953656) has the molecular formula C60H67N15O3 and a molecular weight of 1046.30 g/mol. Its IUPAC name is N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-4-(3-methoxy-5-methylphenyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;4-(3-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine.

Molecular Properties

• Compound Name: N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-4-(3-methoxy-5-methylphenyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;4-(3-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine
• PubChem CID: 164953656
• Molecular Formula: C60H67N15O3
• Molecular Weight: 1046.30 g/mol
• Exact Mass: 1045.56
• IUPAC Name: N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-4-(3-methoxy-5-methylphenyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;4-(3-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine
• SMILES: CCN1CCN(c2ccc(Nc3ncc4cc(-c5cc(C)cc(OC)c5)c5cnn(C(C)C)c5c4n3)nc2)CC1.COc1cc(C)cc(-c2cc3cnc(Nc4ccc(N5CCOCC5)cn4)nc3c3c2cnn3C(C)C)c1
• InChI: InChI=1S/C31H36N8O.C29H31N7O2/c1-6-37-9-11-38(12-10-37)24-7-8-28(32-18-24)35-31-33-17-23-16-26(22-13-21(4)14-25(15-22)40-5)27-19-34-39(20(2)3)30(27)29(23)36-31;1-18(2)36-28-25(17-32-36)24(20-11-19(3)12-23(13-20)37-4)14-21-15-31-29(34-27(21)28)33-26-6-5-22(16-30-26)35-7-9-38-10-8-35/h7-8,13-20H,6,9-12H2,1-5H3,(H,32,33,35,36);5-6,11-18H,7-10H2,1-4H3,(H,30,31,33,34)
• InChIKey: AWHMOHQJDKAOGN-UHFFFAOYSA-N
• XLogP: 11.34
• TPSA: 174.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1046.30
LogP ≤ 5	11.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-4-(3-methoxy-5-methylphenyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;4-(3-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine?

The IUPAC name of N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-4-(3-methoxy-5-methylphenyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;4-(3-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine (CID 164953656) is N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-4-(3-methoxy-5-methylphenyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;4-(3-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine.

What is the SMILES notation for N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-4-(3-methoxy-5-methylphenyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;4-(3-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine?

The canonical SMILES for N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-4-(3-methoxy-5-methylphenyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;4-(3-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine is CCN1CCN(c2ccc(Nc3ncc4cc(-c5cc(C)cc(OC)c5)c5cnn(C(C)C)c5c4n3)nc2)CC1.COc1cc(C)cc(-c2cc3cnc(Nc4ccc(N5CCOCC5)cn4)nc3c3c2cnn3C(C)C)c1.

What is the InChIKey of N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-4-(3-methoxy-5-methylphenyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;4-(3-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine?

The InChIKey is AWHMOHQJDKAOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N8O.C29H31N7O2/c1-6-37-9-11-38(12-10-37)24-7-8-28(32-18-24)35-31-33-17-23-16-26(22-13-21(4)14-25(15-22)40-5)27-19-34-39(20(2)3)30(27)29(23)36-31;1-18(2)36-28-25(17-32-36)24(20-11-19(3)12-23(13-20)37-4)14-21-15-31-29(34-27(21)28)33-26-6-5-22(16-30-26)35-7-9-38-10-8-35/h7-8,13-20H,6,9-12H2,1-5H3,(H,32,33,35,36);5-6,11-18H,7-10H2,1-4H3,(H,30,31,33,34).

What are the key properties of N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-4-(3-methoxy-5-methylphenyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;4-(3-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine?

N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-4-(3-methoxy-5-methylphenyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;4-(3-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine has a molecular weight of 1046.30 g/mol, XLogP of 11.34, 13 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-4-(3-methoxy-5-methylphenyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine;4-(3-methoxy-5-methylphenyl)-N-(5-morpholin-4-yl-2-pyridinyl)-1-propan-2-ylpyrazolo[4,3-h]quinazolin-8-amine is sourced from PubChem (CID 164953656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).