[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[4-(pentan-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone

C24H25FN6O2 — CID 58485701

IUPAC[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[4-(pentan-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
SMILESCCC(CC)Nc1ncnc2[nH]cc(C(=O)c3ccc(Cc4ccc(OC)nc4)nc3F)c12
InChIInChI=1S/C24H25FN6O2/c1-4-15(5-2)31-24-20-18(12-27-23(20)28-13-29-24)21(32)17-8-7-16(30-22(17)25)10-14-6-9-19(33-3)26-11-14/h6-9,11-13,15H,4-5,10H2,1-3H3,(H2,27,28,29,31)
InChIKeyUWBWOZZQCRQULX-UHFFFAOYSA-N
MW448.50 g/mol
LogP4.32
Rot. Bonds9

About [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[4-(pentan-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone

[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[4-(pentan-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone (PubChem CID 58485701) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[4-(pentan-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[4-(pentan-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
PubChem CID58485701
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[4-(pentan-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
SMILESCCC(CC)Nc1ncnc2[nH]cc(C(=O)c3ccc(Cc4ccc(OC)nc4)nc3F)c12
InChIInChI=1S/C24H25FN6O2/c1-4-15(5-2)31-24-20-18(12-27-23(20)28-13-29-24)21(32)17-8-7-16(30-22(17)25)10-14-6-9-19(33-3)26-11-14/h6-9,11-13,15H,4-5,10H2,1-3H3,(H2,27,28,29,31)
InChIKeyUWBWOZZQCRQULX-UHFFFAOYSA-N
XLogP4.32
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[4-(pentan-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoro-3-pyridinyl]-[4-[[(2R)-1-methoxypropan-2-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 58485720
[6-[(4,4-difluorocyclohexyl)methyl]-2-fluoro-3-pyridinyl]-[4-[[(2R)-1-hydroxybutan-2-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 58485916
[6-[(4,4-difluorocyclohexyl)methyl]-2-fluoro-3-pyridinyl]-[4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 58485724
(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-[6-[(6-ethyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]methanone
CID 67446366
5-[1-[6-[(6-ethyl-3-pyridinyl)amino]-2-fluoro-3-pyridinyl]ethenyl]-N-[1-(4-fluorophenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 130438177
3-[[5-[6-[(4,4-difluorocyclohexyl)methyl]-2-fluoropyridine-3-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclopentan-1-one
CID 58485807
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]butanoate
CID 113292334
N-[2,4-difluoro-3-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 58316736
5-chloro-3-[[2-fluoro-6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442210
methyl 2-[(6-methoxy-3-pyridinyl)methylamino]-3-methylpentanoate
CID 104578651
3-[[2-fluoro-6-[2-(6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridine
CID 58259041
ethyl 2-[(6-methoxy-3-pyridinyl)methylamino]propanoate
CID 62989922

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[4-(pentan-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
The IUPAC name of [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[4-(pentan-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone (CID 58485701) is [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[4-(pentan-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone.
What is the SMILES notation for [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[4-(pentan-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
The canonical SMILES for [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[4-(pentan-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone is CCC(CC)Nc1ncnc2[nH]cc(C(=O)c3ccc(Cc4ccc(OC)nc4)nc3F)c12.
What is the InChIKey of [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[4-(pentan-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
The InChIKey is UWBWOZZQCRQULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-4-15(5-2)31-24-20-18(12-27-23(20)28-13-29-24)21(32)17-8-7-16(30-22(17)25)10-14-6-9-19(33-3)26-11-14/h6-9,11-13,15H,4-5,10H2,1-3H3,(H2,27,28,29,31).
What are the key properties of [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[4-(pentan-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
[2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[4-(pentan-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone has a molecular weight of 448.50 g/mol, XLogP of 4.32, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-[(6-methoxy-3-pyridinyl)methyl]-3-pyridinyl]-[4-(pentan-3-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone is sourced from PubChem (CID 58485701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).