[4-[2-(2,4-dimethyl-3-pyridinyl)-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea

C29H30F2N6O — CID 139296424

IUPAC[4-[2-(2,4-dimethyl-3-pyridinyl)-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
SMILESCc1ccnc(C)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(C(C)(C)c1ccccc1)CC2
InChIInChI=1S/C29H30F2N6O/c1-17-10-12-33-18(2)26(17)37-27(20-14-23(31)25(15-22(20)30)34-28(32)38)21-16-36(13-11-24(21)35-37)29(3,4)19-8-6-5-7-9-19/h5-10,12,14-15H,11,13,16H2,1-4H3,(H3,32,34,38)
InChIKeyFVSFQQPPKYQRCH-UHFFFAOYSA-N
MW516.60 g/mol
LogP5.61
Rot. Bonds5

About [4-[2-(2,4-dimethyl-3-pyridinyl)-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea

[4-[2-(2,4-dimethyl-3-pyridinyl)-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea (PubChem CID 139296424) has the molecular formula C29H30F2N6O and a molecular weight of 516.60 g/mol. Its IUPAC name is [4-[2-(2,4-dimethyl-3-pyridinyl)-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea.

Molecular Properties

Compound Name[4-[2-(2,4-dimethyl-3-pyridinyl)-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
PubChem CID139296424
Molecular FormulaC29H30F2N6O
Molecular Weight516.60 g/mol
Exact Mass516.24
IUPAC Name[4-[2-(2,4-dimethyl-3-pyridinyl)-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
SMILESCc1ccnc(C)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(C(C)(C)c1ccccc1)CC2
InChIInChI=1S/C29H30F2N6O/c1-17-10-12-33-18(2)26(17)37-27(20-14-23(31)25(15-22(20)30)34-28(32)38)21-16-36(13-11-24(21)35-37)29(3,4)19-8-6-5-7-9-19/h5-10,12,14-15H,11,13,16H2,1-4H3,(H3,32,34,38)
InChIKeyFVSFQQPPKYQRCH-UHFFFAOYSA-N
XLogP5.61
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.60
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[2-(2,4-dimethyl-3-pyridinyl)-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,4-dimethyl-3-pyridinyl)-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
The IUPAC name of [4-[2-(2,4-dimethyl-3-pyridinyl)-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea (CID 139296424) is [4-[2-(2,4-dimethyl-3-pyridinyl)-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea.
What is the SMILES notation for [4-[2-(2,4-dimethyl-3-pyridinyl)-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
The canonical SMILES for [4-[2-(2,4-dimethyl-3-pyridinyl)-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea is Cc1ccnc(C)c1-n1nc2c(c1-c1cc(F)c(NC(N)=O)cc1F)CN(C(C)(C)c1ccccc1)CC2.
What is the InChIKey of [4-[2-(2,4-dimethyl-3-pyridinyl)-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
The InChIKey is FVSFQQPPKYQRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N6O/c1-17-10-12-33-18(2)26(17)37-27(20-14-23(31)25(15-22(20)30)34-28(32)38)21-16-36(13-11-24(21)35-37)29(3,4)19-8-6-5-7-9-19/h5-10,12,14-15H,11,13,16H2,1-4H3,(H3,32,34,38).
What are the key properties of [4-[2-(2,4-dimethyl-3-pyridinyl)-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea?
[4-[2-(2,4-dimethyl-3-pyridinyl)-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea has a molecular weight of 516.60 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,4-dimethyl-3-pyridinyl)-5-(2-phenylpropan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea is sourced from PubChem (CID 139296424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).