(7R)-2'-amino-4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]-methylamino]-4'-fluoro-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile

C32H40FN9O — CID 178027282

About (7R)-2'-amino-4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]-methylamino]-4'-fluoro-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile

(7R)-2'-amino-4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]-methylamino]-4'-fluoro-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile (PubChem CID 178027282) has the molecular formula C32H40FN9O and a molecular weight of 585.73 g/mol. Its IUPAC name is (7R)-2'-amino-4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]-methylamino]-4'-fluoro-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile.

Molecular Properties

• Compound Name: (7R)-2'-amino-4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]-methylamino]-4'-fluoro-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile
• PubChem CID: 178027282
• Molecular Formula: C32H40FN9O
• Molecular Weight: 585.73 g/mol
• Exact Mass: 585.33
• IUPAC Name: (7R)-2'-amino-4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]-methylamino]-4'-fluoro-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile
• SMILES: C[C@H](c1cccnc1N)N(C)c1nc(OC[C@@H]2CCCN2C)nc2c1CN(C)[C@]1(CCCc3c(F)cc(N)c(C#N)c31)C2
• InChI: InChI=1S/C32H40FN9O/c1-19(21-10-6-12-37-29(21)36)42(4)30-24-17-41(3)32(11-5-9-22-25(33)14-26(35)23(16-34)28(22)32)15-27(24)38-31(39-30)43-18-20-8-7-13-40(20)2/h6,10,12,14,19-20H,5,7-9,11,13,15,17-18,35H2,1-4H3,(H2,36,37)/t19-,20+,32-/m1/s1
• InChIKey: CVWKOUDJOJKXMD-GCNKWRCBSA-N
• XLogP: 3.94
• TPSA: 133.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.73
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (7R)-2'-amino-4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]-methylamino]-4'-fluoro-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile?

The IUPAC name of (7R)-2'-amino-4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]-methylamino]-4'-fluoro-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile (CID 178027282) is (7R)-2'-amino-4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]-methylamino]-4'-fluoro-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile.

What is the SMILES notation for (7R)-2'-amino-4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]-methylamino]-4'-fluoro-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile?

The canonical SMILES for (7R)-2'-amino-4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]-methylamino]-4'-fluoro-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile is C[C@H](c1cccnc1N)N(C)c1nc(OC[C@@H]2CCCN2C)nc2c1CN(C)[C@]1(CCCc3c(F)cc(N)c(C#N)c31)C2.

What is the InChIKey of (7R)-2'-amino-4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]-methylamino]-4'-fluoro-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile?

The InChIKey is CVWKOUDJOJKXMD-GCNKWRCBSA-N. The full InChI is InChI=1S/C32H40FN9O/c1-19(21-10-6-12-37-29(21)36)42(4)30-24-17-41(3)32(11-5-9-22-25(33)14-26(35)23(16-34)28(22)32)15-27(24)38-31(39-30)43-18-20-8-7-13-40(20)2/h6,10,12,14,19-20H,5,7-9,11,13,15,17-18,35H2,1-4H3,(H2,36,37)/t19-,20+,32-/m1/s1.

What are the key properties of (7R)-2'-amino-4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]-methylamino]-4'-fluoro-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile?

(7R)-2'-amino-4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]-methylamino]-4'-fluoro-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile has a molecular weight of 585.73 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (7R)-2'-amino-4-[[(1R)-1-(2-amino-3-pyridinyl)ethyl]-methylamino]-4'-fluoro-6-methyl-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]spiro[5,8-dihydropyrido[4,3-d]pyrimidine-7,8'-6,7-dihydro-5H-naphthalene]-1'-carbonitrile is sourced from PubChem (CID 178027282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).