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

C25H26N6O2 — CID 154654828

IUPAC5-(6-amino-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide
SMILESCN1CCC(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5ccc(N)nc5)cc34)cc2)CC1
InChIInChI=1S/C25H26N6O2/c1-31-12-10-20(11-13-31)33-19-6-4-18(5-7-19)28-25(32)24-21-14-16(2-8-22(21)29-30-24)17-3-9-23(26)27-15-17/h2-9,14-15,20H,10-13H2,1H3,(H2,26,27)(H,28,32)(H,29,30)
InChIKeyPRICLOVIEQDLKH-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.93
Rot. Bonds5

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

5-(6-amino-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide (PubChem CID 154654828) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 5-(6-amino-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(6-amino-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide
PubChem CID154654828
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name5-(6-amino-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide
SMILESCN1CCC(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5ccc(N)nc5)cc34)cc2)CC1
InChIInChI=1S/C25H26N6O2/c1-31-12-10-20(11-13-31)33-19-6-4-18(5-7-19)28-25(32)24-21-14-16(2-8-22(21)29-30-24)17-3-9-23(26)27-15-17/h2-9,14-15,20H,10-13H2,1H3,(H2,26,27)(H,28,32)(H,29,30)
InChIKeyPRICLOVIEQDLKH-UHFFFAOYSA-N
XLogP3.93
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(6-amino-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide (CID 154654828) is 5-(6-amino-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(6-amino-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(6-amino-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide is CN1CCC(Oc2ccc(NC(=O)c3n[nH]c4ccc(-c5ccc(N)nc5)cc34)cc2)CC1.
What is the InChIKey of 5-(6-amino-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide?
The InChIKey is PRICLOVIEQDLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-31-12-10-20(11-13-31)33-19-6-4-18(5-7-19)28-25(32)24-21-14-16(2-8-22(21)29-30-24)17-3-9-23(26)27-15-17/h2-9,14-15,20H,10-13H2,1H3,(H2,26,27)(H,28,32)(H,29,30).
What are the key properties of 5-(6-amino-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide?
5-(6-amino-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-3-pyridinyl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 154654828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).