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

C24H25FN6O2 — CID 139431409

IUPAC6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazole-3-carboxamide
SMILESCn1cc(-c2cc3c(C(=O)Nc4ccc(OCCN5CCCC5)cc4)n[nH]c3cc2F)cn1
InChIInChI=1S/C24H25FN6O2/c1-30-15-16(14-26-30)19-12-20-22(13-21(19)25)28-29-23(20)24(32)27-17-4-6-18(7-5-17)33-11-10-31-8-2-3-9-31/h4-7,12-15H,2-3,8-11H2,1H3,(H,27,32)(H,28,29)
InChIKeyHBPHUHXCYJECEF-UHFFFAOYSA-N
MW448.50 g/mol
LogP3.83
Rot. Bonds7

About 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazole-3-carboxamide

6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazole-3-carboxamide (PubChem CID 139431409) has the molecular formula C24H25FN6O2 and a molecular weight of 448.50 g/mol. Its IUPAC name is 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazole-3-carboxamide
PubChem CID139431409
Molecular FormulaC24H25FN6O2
Molecular Weight448.50 g/mol
Exact Mass448.20
IUPAC Name6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazole-3-carboxamide
SMILESCn1cc(-c2cc3c(C(=O)Nc4ccc(OCCN5CCCC5)cc4)n[nH]c3cc2F)cn1
InChIInChI=1S/C24H25FN6O2/c1-30-15-16(14-26-30)19-12-20-22(13-21(19)25)28-29-23(20)24(32)27-17-4-6-18(7-5-17)33-11-10-31-8-2-3-9-31/h4-7,12-15H,2-3,8-11H2,1H3,(H,27,32)(H,28,29)
InChIKeyHBPHUHXCYJECEF-UHFFFAOYSA-N
XLogP3.83
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazole-3-carboxamide?
The IUPAC name of 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazole-3-carboxamide (CID 139431409) is 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazole-3-carboxamide is Cn1cc(-c2cc3c(C(=O)Nc4ccc(OCCN5CCCC5)cc4)n[nH]c3cc2F)cn1.
What is the InChIKey of 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazole-3-carboxamide?
The InChIKey is HBPHUHXCYJECEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O2/c1-30-15-16(14-26-30)19-12-20-22(13-21(19)25)28-29-23(20)24(32)27-17-4-6-18(7-5-17)33-11-10-31-8-2-3-9-31/h4-7,12-15H,2-3,8-11H2,1H3,(H,27,32)(H,28,29).
What are the key properties of 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazole-3-carboxamide?
6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 448.50 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).