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

C23H23FN6O — CID 139431420

IUPAC6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
SMILESCn1cc(-c2cc3c(C(=O)Nc4ccc(CN5CCCC5)cc4)n[nH]c3cc2F)cn1
InChIInChI=1S/C23H23FN6O/c1-29-14-16(12-25-29)18-10-19-21(11-20(18)24)27-28-22(19)23(31)26-17-6-4-15(5-7-17)13-30-8-2-3-9-30/h4-7,10-12,14H,2-3,8-9,13H2,1H3,(H,26,31)(H,27,28)
InChIKeyWPENABQDALBNCS-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.95
Rot. Bonds5

About 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide

6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 139431420) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
PubChem CID139431420
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC Name6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
SMILESCn1cc(-c2cc3c(C(=O)Nc4ccc(CN5CCCC5)cc4)n[nH]c3cc2F)cn1
InChIInChI=1S/C23H23FN6O/c1-29-14-16(12-25-29)18-10-19-21(11-20(18)24)27-28-22(19)23(31)26-17-6-4-15(5-7-17)13-30-8-2-3-9-30/h4-7,10-12,14H,2-3,8-9,13H2,1H3,(H,26,31)(H,27,28)
InChIKeyWPENABQDALBNCS-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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide (CID 139431420) is 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide is Cn1cc(-c2cc3c(C(=O)Nc4ccc(CN5CCCC5)cc4)n[nH]c3cc2F)cn1.
What is the InChIKey of 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is WPENABQDALBNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-29-14-16(12-25-29)18-10-19-21(11-20(18)24)27-28-22(19)23(31)26-17-6-4-15(5-7-17)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 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide?
6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-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 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).