N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-3-[[(2R)-oxolane-2-carbonyl]amino]pyridine-2-carboxamide

C25H26F2N6O5S — CID 67201278

IUPACN-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-3-[[(2R)-oxolane-2-carbonyl]amino]pyridine-2-carboxamide
SMILESCC1(C)CN(S(=O)(=O)c2cc(F)cc(F)c2)Cc2c(NC(=O)c3ncccc3NC(=O)[C@H]3CCCO3)n[nH]c21
InChIInChI=1S/C25H26F2N6O5S/c1-25(2)13-33(39(36,37)16-10-14(26)9-15(27)11-16)12-17-21(25)31-32-22(17)30-24(35)20-18(5-3-7-28-20)29-23(34)19-6-4-8-38-19/h3,5,7,9-11,19H,4,6,8,12-13H2,1-2H3,(H,29,34)(H2,30,31,32,35)/t19-/m1/s1
InChIKeyKSCSTQWDBKDUOT-LJQANCHMSA-N
MW560.58 g/mol
LogP2.93
Rot. Bonds6

About N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-3-[[(2R)-oxolane-2-carbonyl]amino]pyridine-2-carboxamide

N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-3-[[(2R)-oxolane-2-carbonyl]amino]pyridine-2-carboxamide (PubChem CID 67201278) has the molecular formula C25H26F2N6O5S and a molecular weight of 560.58 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-3-[[(2R)-oxolane-2-carbonyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-3-[[(2R)-oxolane-2-carbonyl]amino]pyridine-2-carboxamide
PubChem CID67201278
Molecular FormulaC25H26F2N6O5S
Molecular Weight560.58 g/mol
Exact Mass560.17
IUPAC NameN-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-3-[[(2R)-oxolane-2-carbonyl]amino]pyridine-2-carboxamide
SMILESCC1(C)CN(S(=O)(=O)c2cc(F)cc(F)c2)Cc2c(NC(=O)c3ncccc3NC(=O)[C@H]3CCCO3)n[nH]c21
InChIInChI=1S/C25H26F2N6O5S/c1-25(2)13-33(39(36,37)16-10-14(26)9-15(27)11-16)12-17-21(25)31-32-22(17)30-24(35)20-18(5-3-7-28-20)29-23(34)19-6-4-8-38-19/h3,5,7,9-11,19H,4,6,8,12-13H2,1-2H3,(H,29,34)(H2,30,31,32,35)/t19-/m1/s1
InChIKeyKSCSTQWDBKDUOT-LJQANCHMSA-N
XLogP2.93
TPSA146.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.58
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-3-[[(2R)-oxolane-2-carbonyl]amino]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-3-[[(2R)-oxolane-2-carbonyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-3-[[(2R)-oxolane-2-carbonyl]amino]pyridine-2-carboxamide (CID 67201278) is N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-3-[[(2R)-oxolane-2-carbonyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-3-[[(2R)-oxolane-2-carbonyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-3-[[(2R)-oxolane-2-carbonyl]amino]pyridine-2-carboxamide is CC1(C)CN(S(=O)(=O)c2cc(F)cc(F)c2)Cc2c(NC(=O)c3ncccc3NC(=O)[C@H]3CCCO3)n[nH]c21.
What is the InChIKey of N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-3-[[(2R)-oxolane-2-carbonyl]amino]pyridine-2-carboxamide?
The InChIKey is KSCSTQWDBKDUOT-LJQANCHMSA-N. The full InChI is InChI=1S/C25H26F2N6O5S/c1-25(2)13-33(39(36,37)16-10-14(26)9-15(27)11-16)12-17-21(25)31-32-22(17)30-24(35)20-18(5-3-7-28-20)29-23(34)19-6-4-8-38-19/h3,5,7,9-11,19H,4,6,8,12-13H2,1-2H3,(H,29,34)(H2,30,31,32,35)/t19-/m1/s1.
What are the key properties of N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-3-[[(2R)-oxolane-2-carbonyl]amino]pyridine-2-carboxamide?
N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-3-[[(2R)-oxolane-2-carbonyl]amino]pyridine-2-carboxamide has a molecular weight of 560.58 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-3-[[(2R)-oxolane-2-carbonyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 67201278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).