6-fluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

C23H25FN8O — CID 154654845

IUPAC6-fluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(Nc2ccc(NC(=O)c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)cn2)CC1
InChIInChI=1S/C23H25FN8O/c1-31-7-5-15(6-8-31)27-21-4-3-16(12-25-21)28-23(33)22-18-9-17(14-11-26-32(2)13-14)19(24)10-20(18)29-30-22/h3-4,9-13,15H,5-8H2,1-2H3,(H,25,27)(H,28,33)(H,29,30)
InChIKeyKXHKYABQNOFEKV-UHFFFAOYSA-N
MW448.51 g/mol
LogP3.26
Rot. Bonds5

About 6-fluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide

6-fluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (PubChem CID 154654845) has the molecular formula C23H25FN8O and a molecular weight of 448.51 g/mol. Its IUPAC name is 6-fluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
PubChem CID154654845
Molecular FormulaC23H25FN8O
Molecular Weight448.51 g/mol
Exact Mass448.21
IUPAC Name6-fluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
SMILESCN1CCC(Nc2ccc(NC(=O)c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)cn2)CC1
InChIInChI=1S/C23H25FN8O/c1-31-7-5-15(6-8-31)27-21-4-3-16(12-25-21)28-23(33)22-18-9-17(14-11-26-32(2)13-14)19(24)10-20(18)29-30-22/h3-4,9-13,15H,5-8H2,1-2H3,(H,25,27)(H,28,33)(H,29,30)
InChIKeyKXHKYABQNOFEKV-UHFFFAOYSA-N
XLogP3.26
TPSA103.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.51
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 6-fluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide (CID 154654845) is 6-fluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is CN1CCC(Nc2ccc(NC(=O)c3n[nH]c4cc(F)c(-c5cnn(C)c5)cc34)cn2)CC1.
What is the InChIKey of 6-fluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
The InChIKey is KXHKYABQNOFEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN8O/c1-31-7-5-15(6-8-31)27-21-4-3-16(12-25-21)28-23(33)22-18-9-17(14-11-26-32(2)13-14)19(24)10-20(18)29-30-22/h3-4,9-13,15H,5-8H2,1-2H3,(H,25,27)(H,28,33)(H,29,30).
What are the key properties of 6-fluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide?
6-fluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide has a molecular weight of 448.51 g/mol, XLogP of 3.26, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 154654845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).