4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-butylpyrrolidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-ethylpyrrolidin-3-yl)-7-methylpyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-[1-(3-methoxypropyl)pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;methane

C80H103F3N18O4 — CID 158077302

About 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-butylpyrrolidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-ethylpyrrolidin-3-yl)-7-methylpyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-[1-(3-methoxypropyl)pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;methane

4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-butylpyrrolidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-ethylpyrrolidin-3-yl)-7-methylpyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-[1-(3-methoxypropyl)pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;methane (PubChem CID 158077302) has the molecular formula C80H103F3N18O4 and a molecular weight of 1437.82 g/mol. Its IUPAC name is 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-butylpyrrolidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-ethylpyrrolidin-3-yl)-7-methylpyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-[1-(3-methoxypropyl)pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;methane.

Molecular Properties

• Compound Name: 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-butylpyrrolidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-ethylpyrrolidin-3-yl)-7-methylpyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-[1-(3-methoxypropyl)pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;methane
• PubChem CID: 158077302
• Molecular Formula: C80H103F3N18O4
• Molecular Weight: 1437.82 g/mol
• Exact Mass: 1436.84
• IUPAC Name: 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-butylpyrrolidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-ethylpyrrolidin-3-yl)-7-methylpyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-[1-(3-methoxypropyl)pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;methane
• SMILES: C.C.C.CCCCN1CCC(n2cc(-c3nc(N)ncc3F)c3cc(C#CC(C)(O)C4CC4)ncc32)C1.CCN1CCC(n2cc(-c3nc(N)ncc3F)c3cc(C#CC(C)(O)C4CC4)nc(C)c32)C1.COCCCN1CCC(n2cc(-c3nc(N)ncc3F)c3cc(C#CC(C)(O)C4CC4)ncc32)C1
• InChI: InChI=1S/C26H31FN6O2.C26H31FN6O.C25H29FN6O.3CH4/c1-26(34,17-4-5-17)8-6-18-12-20-21(24-22(27)13-30-25(28)31-24)16-33(23(20)14-29-18)19-7-10-32(15-19)9-3-11-35-2;1-3-4-10-32-11-8-19(15-32)33-16-21(24-22(27)13-30-25(28)31-24)20-12-18(29-14-23(20)33)7-9-26(2,34)17-5-6-17;1-4-31-10-8-18(13-31)32-14-20(22-21(26)12-28-24(27)30-22)19-11-17(29-15(2)23(19)32)7-9-25(3,33)16-5-6-16;;;/h12-14,16-17,19,34H,3-5,7,9-11,15H2,1-2H3,(H2,28,30,31);12-14,16-17,19,34H,3-6,8,10-11,15H2,1-2H3,(H2,28,30,31);11-12,14,16,18,33H,4-6,8,10,13H2,1-3H3,(H2,27,28,30);3*1H4
• InChIKey: FMNJVOWSYTYESF-UHFFFAOYSA-N
• XLogP: 11.99
• TPSA: 288.50 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1437.82
LogP ≤ 5	11.99
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-butylpyrrolidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-ethylpyrrolidin-3-yl)-7-methylpyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-[1-(3-methoxypropyl)pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;methane?

The IUPAC name of 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-butylpyrrolidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-ethylpyrrolidin-3-yl)-7-methylpyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-[1-(3-methoxypropyl)pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;methane (CID 158077302) is 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-butylpyrrolidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-ethylpyrrolidin-3-yl)-7-methylpyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-[1-(3-methoxypropyl)pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;methane.

What is the SMILES notation for 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-butylpyrrolidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-ethylpyrrolidin-3-yl)-7-methylpyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-[1-(3-methoxypropyl)pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;methane?

The canonical SMILES for 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-butylpyrrolidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-ethylpyrrolidin-3-yl)-7-methylpyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-[1-(3-methoxypropyl)pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;methane is C.C.C.CCCCN1CCC(n2cc(-c3nc(N)ncc3F)c3cc(C#CC(C)(O)C4CC4)ncc32)C1.CCN1CCC(n2cc(-c3nc(N)ncc3F)c3cc(C#CC(C)(O)C4CC4)nc(C)c32)C1.COCCCN1CCC(n2cc(-c3nc(N)ncc3F)c3cc(C#CC(C)(O)C4CC4)ncc32)C1.

What is the InChIKey of 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-butylpyrrolidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-ethylpyrrolidin-3-yl)-7-methylpyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-[1-(3-methoxypropyl)pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;methane?

The InChIKey is FMNJVOWSYTYESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O2.C26H31FN6O.C25H29FN6O.3CH4/c1-26(34,17-4-5-17)8-6-18-12-20-21(24-22(27)13-30-25(28)31-24)16-33(23(20)14-29-18)19-7-10-32(15-19)9-3-11-35-2;1-3-4-10-32-11-8-19(15-32)33-16-21(24-22(27)13-30-25(28)31-24)20-12-18(29-14-23(20)33)7-9-26(2,34)17-5-6-17;1-4-31-10-8-18(13-31)32-14-20(22-21(26)12-28-24(27)30-22)19-11-17(29-15(2)23(19)32)7-9-25(3,33)16-5-6-16;;;/h12-14,16-17,19,34H,3-5,7,9-11,15H2,1-2H3,(H2,28,30,31);12-14,16-17,19,34H,3-6,8,10-11,15H2,1-2H3,(H2,28,30,31);11-12,14,16,18,33H,4-6,8,10,13H2,1-3H3,(H2,27,28,30);3*1H4.

What are the key properties of 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-butylpyrrolidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-ethylpyrrolidin-3-yl)-7-methylpyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-[1-(3-methoxypropyl)pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;methane?

4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-butylpyrrolidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-ethylpyrrolidin-3-yl)-7-methylpyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-[1-(3-methoxypropyl)pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;methane has a molecular weight of 1437.82 g/mol, XLogP of 11.99, 17 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-butylpyrrolidin-3-yl)pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-(1-ethylpyrrolidin-3-yl)-7-methylpyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;4-[3-(2-amino-5-fluoropyrimidin-4-yl)-1-[1-(3-methoxypropyl)pyrrolidin-3-yl]pyrrolo[2,3-c]pyridin-5-yl]-2-cyclopropylbut-3-yn-2-ol;methane is sourced from PubChem (CID 158077302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).