N-[(6-fluoro-1-methylindazol-7-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide

C22H24FN7O3S — CID 176730634

IUPACN-[(6-fluoro-1-methylindazol-7-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide
SMILESCc1c(S(=O)(=O)N2CCc3[nH]ncc3C2)cc(C(=O)NCc2c(F)ccc3cnn(C)c23)n1C
InChIInChI=1S/C22H24FN7O3S/c1-13-20(34(32,33)30-7-6-18-15(12-30)9-25-27-18)8-19(28(13)2)22(31)24-11-16-17(23)5-4-14-10-26-29(3)21(14)16/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,24,31)(H,25,27)
InChIKeyKGOKNBFOEPMZIS-UHFFFAOYSA-N
MW485.55 g/mol
LogP1.76
Rot. Bonds5

About N-[(6-fluoro-1-methylindazol-7-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide

N-[(6-fluoro-1-methylindazol-7-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide (PubChem CID 176730634) has the molecular formula C22H24FN7O3S and a molecular weight of 485.55 g/mol. Its IUPAC name is N-[(6-fluoro-1-methylindazol-7-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(6-fluoro-1-methylindazol-7-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide
PubChem CID176730634
Molecular FormulaC22H24FN7O3S
Molecular Weight485.55 g/mol
Exact Mass485.16
IUPAC NameN-[(6-fluoro-1-methylindazol-7-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide
SMILESCc1c(S(=O)(=O)N2CCc3[nH]ncc3C2)cc(C(=O)NCc2c(F)ccc3cnn(C)c23)n1C
InChIInChI=1S/C22H24FN7O3S/c1-13-20(34(32,33)30-7-6-18-15(12-30)9-25-27-18)8-19(28(13)2)22(31)24-11-16-17(23)5-4-14-10-26-29(3)21(14)16/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,24,31)(H,25,27)
InChIKeyKGOKNBFOEPMZIS-UHFFFAOYSA-N
XLogP1.76
TPSA117.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1-methylindazol-7-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide?
The IUPAC name of N-[(6-fluoro-1-methylindazol-7-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide (CID 176730634) is N-[(6-fluoro-1-methylindazol-7-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[(6-fluoro-1-methylindazol-7-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[(6-fluoro-1-methylindazol-7-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide is Cc1c(S(=O)(=O)N2CCc3[nH]ncc3C2)cc(C(=O)NCc2c(F)ccc3cnn(C)c23)n1C.
What is the InChIKey of N-[(6-fluoro-1-methylindazol-7-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide?
The InChIKey is KGOKNBFOEPMZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O3S/c1-13-20(34(32,33)30-7-6-18-15(12-30)9-25-27-18)8-19(28(13)2)22(31)24-11-16-17(23)5-4-14-10-26-29(3)21(14)16/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,24,31)(H,25,27).
What are the key properties of N-[(6-fluoro-1-methylindazol-7-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide?
N-[(6-fluoro-1-methylindazol-7-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide has a molecular weight of 485.55 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1-methylindazol-7-yl)methyl]-1,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)pyrrole-2-carboxamide is sourced from PubChem (CID 176730634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).