6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-propan-2-ylpyrazol-4-yl)-1H-indazole-3-carboxamide

C26H29FN6O2 — CID 139431427

IUPAC6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-propan-2-ylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCC(C)n1cc(-c2cc3c(C(=O)Nc4ccc(OC5CCN(C)CC5)cc4)n[nH]c3cc2F)cn1
InChIInChI=1S/C26H29FN6O2/c1-16(2)33-15-17(14-28-33)21-12-22-24(13-23(21)27)30-31-25(22)26(34)29-18-4-6-19(7-5-18)35-20-8-10-32(3)11-9-20/h4-7,12-16,20H,8-11H2,1-3H3,(H,29,34)(H,30,31)
InChIKeyRKWJVYDDZKBEGR-UHFFFAOYSA-N
MW476.56 g/mol
LogP4.87
Rot. Bonds6

About 6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-propan-2-ylpyrazol-4-yl)-1H-indazole-3-carboxamide

6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-propan-2-ylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 139431427) has the molecular formula C26H29FN6O2 and a molecular weight of 476.56 g/mol. Its IUPAC name is 6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-propan-2-ylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-propan-2-ylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID139431427
Molecular FormulaC26H29FN6O2
Molecular Weight476.56 g/mol
Exact Mass476.23
IUPAC Name6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-propan-2-ylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCC(C)n1cc(-c2cc3c(C(=O)Nc4ccc(OC5CCN(C)CC5)cc4)n[nH]c3cc2F)cn1
InChIInChI=1S/C26H29FN6O2/c1-16(2)33-15-17(14-28-33)21-12-22-24(13-23(21)27)30-31-25(22)26(34)29-18-4-6-19(7-5-18)35-20-8-10-32(3)11-9-20/h4-7,12-16,20H,8-11H2,1-3H3,(H,29,34)(H,30,31)
InChIKeyRKWJVYDDZKBEGR-UHFFFAOYSA-N
XLogP4.87
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-propan-2-ylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-propan-2-ylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 139431427) is 6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-propan-2-ylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-propan-2-ylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-propan-2-ylpyrazol-4-yl)-1H-indazole-3-carboxamide is CC(C)n1cc(-c2cc3c(C(=O)Nc4ccc(OC5CCN(C)CC5)cc4)n[nH]c3cc2F)cn1.
What is the InChIKey of 6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-propan-2-ylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is RKWJVYDDZKBEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O2/c1-16(2)33-15-17(14-28-33)21-12-22-24(13-23(21)27)30-31-25(22)26(34)29-18-4-6-19(7-5-18)35-20-8-10-32(3)11-9-20/h4-7,12-16,20H,8-11H2,1-3H3,(H,29,34)(H,30,31).
What are the key properties of 6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-propan-2-ylpyrazol-4-yl)-1H-indazole-3-carboxamide?
6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-propan-2-ylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 476.56 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-(1-propan-2-ylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).