9-fluoro-8-methoxy-2-[(3S,6R)-6-methyl-1-[1-[(1S,2S)-2-nitrosocyclopentyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C24H28FN9O2 — CID 146651039

IUPAC9-fluoro-8-methoxy-2-[(3S,6R)-6-methyl-1-[1-[(1S,2S)-2-nitrosocyclopentyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cc2nc(N)n3nc([C@H]4CC[C@@H](C)N(c5cnn([C@H]6CCC[C@@H]6N=O)c5)C4)nc3c2cc1F
InChIInChI=1S/C24H28FN9O2/c1-13-6-7-14(11-32(13)15-10-27-33(12-15)20-5-3-4-18(20)31-35)22-29-23-16-8-17(25)21(36-2)9-19(16)28-24(26)34(23)30-22/h8-10,12-14,18,20H,3-7,11H2,1-2H3,(H2,26,28)/t13-,14+,18+,20+/m1/s1
InChIKeyMJPOJMFXHVUBEP-IUHVXIRESA-N
MW493.55 g/mol
LogP3.84
Rot. Bonds5

About 9-fluoro-8-methoxy-2-[(3S,6R)-6-methyl-1-[1-[(1S,2S)-2-nitrosocyclopentyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

9-fluoro-8-methoxy-2-[(3S,6R)-6-methyl-1-[1-[(1S,2S)-2-nitrosocyclopentyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 146651039) has the molecular formula C24H28FN9O2 and a molecular weight of 493.55 g/mol. Its IUPAC name is 9-fluoro-8-methoxy-2-[(3S,6R)-6-methyl-1-[1-[(1S,2S)-2-nitrosocyclopentyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name9-fluoro-8-methoxy-2-[(3S,6R)-6-methyl-1-[1-[(1S,2S)-2-nitrosocyclopentyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID146651039
Molecular FormulaC24H28FN9O2
Molecular Weight493.55 g/mol
Exact Mass493.23
IUPAC Name9-fluoro-8-methoxy-2-[(3S,6R)-6-methyl-1-[1-[(1S,2S)-2-nitrosocyclopentyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cc2nc(N)n3nc([C@H]4CC[C@@H](C)N(c5cnn([C@H]6CCC[C@@H]6N=O)c5)C4)nc3c2cc1F
InChIInChI=1S/C24H28FN9O2/c1-13-6-7-14(11-32(13)15-10-27-33(12-15)20-5-3-4-18(20)31-35)22-29-23-16-8-17(25)21(36-2)9-19(16)28-24(26)34(23)30-22/h8-10,12-14,18,20H,3-7,11H2,1-2H3,(H2,26,28)/t13-,14+,18+,20+/m1/s1
InChIKeyMJPOJMFXHVUBEP-IUHVXIRESA-N
XLogP3.84
TPSA128.82 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.55
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 9-fluoro-8-methoxy-2-[(3S,6R)-6-methyl-1-[1-[(1S,2S)-2-nitrosocyclopentyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine with MolForge

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Related Compounds

2-[4-[(2S,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol
CID 146651187
2-[4-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]cyclobutan-1-one
CID 146651141
2-[(3R,6S)-1-(1-cyclopropylpyrazol-4-yl)-6-methylpiperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 176511081
9-fluoro-8-methoxy-2-[(3R)-1-(1-propan-2-ylpyrazol-4-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146650730
2-[(3R)-1-(1-ethylpyrazol-4-yl)piperidin-3-yl]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 159673651
[(2S,5R)-5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]-[(3R)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 171652451
3-[4-[(3S)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-3-methylbutan-2-ol
CID 164607515
3-[4-[5-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylbutan-2-ol;3-[4-[5-[5-[(2,4-dimethoxyphenyl)methylamino]-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl]-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylbutan-2-ol;methane;2,2,2-trifluoroacetaldehyde
CID 165066231
2-[4-[(2S,5R)-5-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-2-methylpropan-1-ol
CID 146651181
(2R)-3-[4-[(2R,5S)-5-(5-amino-9-fluoro-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-2-methylpiperidin-1-yl]pyrazol-1-yl]-3-methylbutan-2-ol
CID 146651202
5-[(3R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-(difluoromethyl)-3-methylpyridin-2-one
CID 146651179
(2S,3S)-3-[4-[(3S,5R)-3-(5-amino-9-fluoro-8-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)-5-methylpiperidin-1-yl]pyrazol-1-yl]butan-2-ol
CID 146651123

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-8-methoxy-2-[(3S,6R)-6-methyl-1-[1-[(1S,2S)-2-nitrosocyclopentyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 9-fluoro-8-methoxy-2-[(3S,6R)-6-methyl-1-[1-[(1S,2S)-2-nitrosocyclopentyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 146651039) is 9-fluoro-8-methoxy-2-[(3S,6R)-6-methyl-1-[1-[(1S,2S)-2-nitrosocyclopentyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 9-fluoro-8-methoxy-2-[(3S,6R)-6-methyl-1-[1-[(1S,2S)-2-nitrosocyclopentyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 9-fluoro-8-methoxy-2-[(3S,6R)-6-methyl-1-[1-[(1S,2S)-2-nitrosocyclopentyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cc2nc(N)n3nc([C@H]4CC[C@@H](C)N(c5cnn([C@H]6CCC[C@@H]6N=O)c5)C4)nc3c2cc1F.
What is the InChIKey of 9-fluoro-8-methoxy-2-[(3S,6R)-6-methyl-1-[1-[(1S,2S)-2-nitrosocyclopentyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is MJPOJMFXHVUBEP-IUHVXIRESA-N. The full InChI is InChI=1S/C24H28FN9O2/c1-13-6-7-14(11-32(13)15-10-27-33(12-15)20-5-3-4-18(20)31-35)22-29-23-16-8-17(25)21(36-2)9-19(16)28-24(26)34(23)30-22/h8-10,12-14,18,20H,3-7,11H2,1-2H3,(H2,26,28)/t13-,14+,18+,20+/m1/s1.
What are the key properties of 9-fluoro-8-methoxy-2-[(3S,6R)-6-methyl-1-[1-[(1S,2S)-2-nitrosocyclopentyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
9-fluoro-8-methoxy-2-[(3S,6R)-6-methyl-1-[1-[(1S,2S)-2-nitrosocyclopentyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 493.55 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-8-methoxy-2-[(3S,6R)-6-methyl-1-[1-[(1S,2S)-2-nitrosocyclopentyl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 146651039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).