7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide

C23H23FN6O — CID 139431431

IUPAC7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide
SMILESCn1cc(-c2cc(F)c3n[nH]c(C(=O)Nc4ccc(CN5CCCC5)cc4)c3c2)cn1
InChIInChI=1S/C23H23FN6O/c1-29-14-17(12-25-29)16-10-19-21(20(24)11-16)27-28-22(19)23(31)26-18-6-4-15(5-7-18)13-30-8-2-3-9-30/h4-7,10-12,14H,2-3,8-9,13H2,1H3,(H,26,31)(H,27,28)
InChIKeyKXMTWQLRTIAMGS-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.95
Rot. Bonds5

About 7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide

7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide (PubChem CID 139431431) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is 7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide
PubChem CID139431431
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC Name7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide
SMILESCn1cc(-c2cc(F)c3n[nH]c(C(=O)Nc4ccc(CN5CCCC5)cc4)c3c2)cn1
InChIInChI=1S/C23H23FN6O/c1-29-14-17(12-25-29)16-10-19-21(20(24)11-16)27-28-22(19)23(31)26-18-6-4-15(5-7-18)13-30-8-2-3-9-30/h4-7,10-12,14H,2-3,8-9,13H2,1H3,(H,26,31)(H,27,28)
InChIKeyKXMTWQLRTIAMGS-UHFFFAOYSA-N
XLogP3.95
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]-4-[(1-methylpiperidin-4-yl)methyl]aniline
CID 139448978
6-fluoro-N-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431401
7-chloro-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide
CID 139431378
N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-7-methyl-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide
CID 139448910
(1R)-2-fluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]cyclohexan-1-amine
CID 139448778
1,3-dimethyl-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 19474862
N-[(1-methylpyrazol-4-yl)methyl]-4-(pyrrolidin-1-ylmethyl)aniline
CID 43231929
2-(1-ethylpyrazol-4-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]quinoline-4-carboxamide
CID 19518645
3-fluoro-4-methoxy-N-[4-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 17445967
2,5-difluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide
CID 108743754
N-(4-tert-butylphenyl)-4-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]benzamide
CID 44530075
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide?
The IUPAC name of 7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide (CID 139431431) is 7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide.
What is the SMILES notation for 7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide?
The canonical SMILES for 7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide is Cn1cc(-c2cc(F)c3n[nH]c(C(=O)Nc4ccc(CN5CCCC5)cc4)c3c2)cn1.
What is the InChIKey of 7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide?
The InChIKey is KXMTWQLRTIAMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-29-14-17(12-25-29)16-10-19-21(20(24)11-16)27-28-22(19)23(31)26-18-6-4-15(5-7-18)13-30-8-2-3-9-30/h4-7,10-12,14H,2-3,8-9,13H2,1H3,(H,26,31)(H,27,28).
What are the key properties of 7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide?
7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide has a molecular weight of 418.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide is sourced from PubChem (CID 139431431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).