N-[2-(methanesulfonamido)pyrimidin-5-yl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

C22H22N8O3S — CID 89469151

IUPACN-[2-(methanesulfonamido)pyrimidin-5-yl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCS(=O)(=O)Nc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1
InChIInChI=1S/C22H22N8O3S/c1-34(32,33)29-22-24-11-16(12-25-22)26-21(31)20-18-9-14(4-5-19(18)27-28-20)15-8-17(13-23-10-15)30-6-2-3-7-30/h4-5,8-13H,2-3,6-7H2,1H3,(H,26,31)(H,27,28)(H,24,25,29)
InChIKeyXVMOOZMNFXKDLX-UHFFFAOYSA-N
MW478.54 g/mol
LogP2.64
Rot. Bonds6

About N-[2-(methanesulfonamido)pyrimidin-5-yl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

N-[2-(methanesulfonamido)pyrimidin-5-yl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 89469151) has the molecular formula C22H22N8O3S and a molecular weight of 478.54 g/mol. Its IUPAC name is N-[2-(methanesulfonamido)pyrimidin-5-yl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methanesulfonamido)pyrimidin-5-yl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID89469151
Molecular FormulaC22H22N8O3S
Molecular Weight478.54 g/mol
Exact Mass478.15
IUPAC NameN-[2-(methanesulfonamido)pyrimidin-5-yl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCS(=O)(=O)Nc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1
InChIInChI=1S/C22H22N8O3S/c1-34(32,33)29-22-24-11-16(12-25-22)26-21(31)20-18-9-14(4-5-19(18)27-28-20)15-8-17(13-23-10-15)30-6-2-3-7-30/h4-5,8-13H,2-3,6-7H2,1H3,(H,26,31)(H,27,28)(H,24,25,29)
InChIKeyXVMOOZMNFXKDLX-UHFFFAOYSA-N
XLogP2.64
TPSA145.86 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.54
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(methanesulfonamido)pyrimidin-5-yl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89469150
N-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrimidin-5-yl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 160522728
N-[6-(azetidin-1-yl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450857
N-(6-cyano-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethane
CID 144555192
N-[6-(azetidin-1-ylmethyl)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450370
5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450840
N-(6-oxo-1H-pyridin-3-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450891
ethane;N-[6-(4-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 144555272
N-[6-[(2-methoxy-4-pyridinyl)oxy]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 122630495
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrimidin-5-yl]-1H-indazole-3-carboxamide
CID 159975834
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 158652397
N-[6-(3-fluorophenoxy)-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450959

Frequently Asked Questions

What is the IUPAC name of N-[2-(methanesulfonamido)pyrimidin-5-yl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-[2-(methanesulfonamido)pyrimidin-5-yl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 89469151) is N-[2-(methanesulfonamido)pyrimidin-5-yl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[2-(methanesulfonamido)pyrimidin-5-yl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-[2-(methanesulfonamido)pyrimidin-5-yl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is CS(=O)(=O)Nc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1.
What is the InChIKey of N-[2-(methanesulfonamido)pyrimidin-5-yl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is XVMOOZMNFXKDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O3S/c1-34(32,33)29-22-24-11-16(12-25-22)26-21(31)20-18-9-14(4-5-19(18)27-28-20)15-8-17(13-23-10-15)30-6-2-3-7-30/h4-5,8-13H,2-3,6-7H2,1H3,(H,26,31)(H,27,28)(H,24,25,29).
What are the key properties of N-[2-(methanesulfonamido)pyrimidin-5-yl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?
N-[2-(methanesulfonamido)pyrimidin-5-yl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 478.54 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methanesulfonamido)pyrimidin-5-yl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89469151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).