4-[[5-[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoropyridine-3-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one

C27H26FN7O2 — CID 58485761

IUPAC4-[[5-[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoropyridine-3-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
SMILESCN1CCC(Nc2ncnc3[nH]cc(C(=O)c4ccc(Cc5ccc(C6CC6)nc5)nc4F)c23)CC1=O
InChIInChI=1S/C27H26FN7O2/c1-35-9-8-18(11-22(35)36)34-27-23-20(13-30-26(23)31-14-32-27)24(37)19-6-5-17(33-25(19)28)10-15-2-7-21(29-12-15)16-3-4-16/h2,5-7,12-14,16,18H,3-4,8-11H2,1H3,(H2,30,31,32,34)
InChIKeyPLPQWYHGXKUQGT-UHFFFAOYSA-N
MW499.55 g/mol
LogP3.62
Rot. Bonds7

About 4-[[5-[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoropyridine-3-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one

4-[[5-[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoropyridine-3-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one (PubChem CID 58485761) has the molecular formula C27H26FN7O2 and a molecular weight of 499.55 g/mol. Its IUPAC name is 4-[[5-[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoropyridine-3-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name4-[[5-[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoropyridine-3-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
PubChem CID58485761
Molecular FormulaC27H26FN7O2
Molecular Weight499.55 g/mol
Exact Mass499.21
IUPAC Name4-[[5-[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoropyridine-3-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one
SMILESCN1CCC(Nc2ncnc3[nH]cc(C(=O)c4ccc(Cc5ccc(C6CC6)nc5)nc4F)c23)CC1=O
InChIInChI=1S/C27H26FN7O2/c1-35-9-8-18(11-22(35)36)34-27-23-20(13-30-26(23)31-14-32-27)24(37)19-6-5-17(33-25(19)28)10-15-2-7-21(29-12-15)16-3-4-16/h2,5-7,12-14,16,18H,3-4,8-11H2,1H3,(H2,30,31,32,34)
InChIKeyPLPQWYHGXKUQGT-UHFFFAOYSA-N
XLogP3.62
TPSA116.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.55
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[[5-[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoropyridine-3-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one 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

Plx8394
CID 90116675
2-(2-aminopyrimidin-4-yl)-7-(propan-2-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11357740
(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
CID 16757525
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(2-pyridyl)-1H-indole-7-carboxamide
CID 507860
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-pyrimidin-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 5280164
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(7-pyrimidin-5-yl-1H-pyrrolo[3,2-b]pyridin-3-yl)ethane-1,2-dione
CID 5280235
2-[2-(Oxan-4-Ylamino)pyrimidin-4-Yl]-5-(Phenylmethyl)-6,7-Dihydro-1~{h}-Pyrrolo[3,2-C]pyridin-4-One
CID 126480560
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-2-(1H-pyrrolo(3,2-c)pyridin-3-yl)-
CID 466847
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-2-(1H-pyrrolo(2,3-b)pyridin-3-yl)-
CID 5327622
2-(2-aminopyrimidin-4-yl)-7-phenyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11210036
2-[2-(benzylamino)pyrimidin-4-yl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11267154
2-(2-aminopyrimidin-4-yl)-6-(propan-2-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11311779

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoropyridine-3-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?
The IUPAC name of 4-[[5-[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoropyridine-3-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one (CID 58485761) is 4-[[5-[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoropyridine-3-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 4-[[5-[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoropyridine-3-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?
The canonical SMILES for 4-[[5-[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoropyridine-3-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one is CN1CCC(Nc2ncnc3[nH]cc(C(=O)c4ccc(Cc5ccc(C6CC6)nc5)nc4F)c23)CC1=O.
What is the InChIKey of 4-[[5-[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoropyridine-3-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?
The InChIKey is PLPQWYHGXKUQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O2/c1-35-9-8-18(11-22(35)36)34-27-23-20(13-30-26(23)31-14-32-27)24(37)19-6-5-17(33-25(19)28)10-15-2-7-21(29-12-15)16-3-4-16/h2,5-7,12-14,16,18H,3-4,8-11H2,1H3,(H2,30,31,32,34).
What are the key properties of 4-[[5-[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoropyridine-3-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one?
4-[[5-[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoropyridine-3-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one has a molecular weight of 499.55 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[6-[(6-cyclopropyl-3-pyridinyl)methyl]-2-fluoropyridine-3-carbonyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 58485761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).