[3-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone

C30H31N7O2 — CID 172600335

IUPAC[3-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1c(-c2nccc3cnc(NC4CCN(C(=O)c5cccnc5)C4)cc23)ccc2c1cnn2CC(C)(C)O
InChIInChI=1S/C30H31N7O2/c1-19-23(6-7-26-25(19)16-34-37(26)18-30(2,3)39)28-24-13-27(33-15-20(24)8-11-32-28)35-22-9-12-36(17-22)29(38)21-5-4-10-31-14-21/h4-8,10-11,13-16,22,39H,9,12,17-18H2,1-3H3,(H,33,35)
InChIKeyUCJPTQYPCNXSPM-UHFFFAOYSA-N
MW521.63 g/mol
LogP4.45
Rot. Bonds6

About [3-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone

[3-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 172600335) has the molecular formula C30H31N7O2 and a molecular weight of 521.63 g/mol. Its IUPAC name is [3-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[3-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID172600335
Molecular FormulaC30H31N7O2
Molecular Weight521.63 g/mol
Exact Mass521.25
IUPAC Name[3-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1c(-c2nccc3cnc(NC4CCN(C(=O)c5cccnc5)C4)cc23)ccc2c1cnn2CC(C)(C)O
InChIInChI=1S/C30H31N7O2/c1-19-23(6-7-26-25(19)16-34-37(26)18-30(2,3)39)28-24-13-27(33-15-20(24)8-11-32-28)35-22-9-12-36(17-22)29(38)21-5-4-10-31-14-21/h4-8,10-11,13-16,22,39H,9,12,17-18H2,1-3H3,(H,33,35)
InChIKeyUCJPTQYPCNXSPM-UHFFFAOYSA-N
XLogP4.45
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.63
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [3-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821123
[3-[(4-fluoro-1-methylbenzimidazol-2-yl)amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 154798378
1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821121
1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea
CID 97227779
[3-(4-propan-2-ylanilino)piperidin-1-yl]-pyridin-3-ylmethanone
CID 24817805
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-quinolin-6-ylmethanone
CID 126887578
[3-(methylamino)pyrrolidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753716
[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
N-[4-[(3R)-3-[(5-methyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]prop-2-enamide
CID 152523570
pyrazin-2-yl-[(3R)-3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 95107441

Frequently Asked Questions

What is the IUPAC name of [3-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [3-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 172600335) is [3-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [3-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [3-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone is Cc1c(-c2nccc3cnc(NC4CCN(C(=O)c5cccnc5)C4)cc23)ccc2c1cnn2CC(C)(C)O.
What is the InChIKey of [3-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is UCJPTQYPCNXSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O2/c1-19-23(6-7-26-25(19)16-34-37(26)18-30(2,3)39)28-24-13-27(33-15-20(24)8-11-32-28)35-22-9-12-36(17-22)29(38)21-5-4-10-31-14-21/h4-8,10-11,13-16,22,39H,9,12,17-18H2,1-3H3,(H,33,35).
What are the key properties of [3-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
[3-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 521.63 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[5-[1-(2-hydroxy-2-methylpropyl)-4-methylindazol-5-yl]-2,6-naphthyridin-3-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 172600335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).