N-[6-[4-(hydroxymethyl)piperidin-1-yl]-1-methylindazol-5-yl]-6-[1-(2-hydroxypropyl)pyrazol-4-yl]pyridine-2-carboxamide

C26H31N7O3 — CID 118226577

IUPACN-[6-[4-(hydroxymethyl)piperidin-1-yl]-1-methylindazol-5-yl]-6-[1-(2-hydroxypropyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCC(O)Cn1cc(-c2cccc(C(=O)Nc3cc4cnn(C)c4cc3N3CCC(CO)CC3)n2)cn1
InChIInChI=1S/C26H31N7O3/c1-17(35)14-33-15-20(13-28-33)21-4-3-5-22(29-21)26(36)30-23-10-19-12-27-31(2)24(19)11-25(23)32-8-6-18(16-34)7-9-32/h3-5,10-13,15,17-18,34-35H,6-9,14,16H2,1-2H3,(H,30,36)
InChIKeyBZOYWQLMIFGASE-UHFFFAOYSA-N
MW489.58 g/mol
LogP2.67
Rot. Bonds7

About N-[6-[4-(hydroxymethyl)piperidin-1-yl]-1-methylindazol-5-yl]-6-[1-(2-hydroxypropyl)pyrazol-4-yl]pyridine-2-carboxamide

N-[6-[4-(hydroxymethyl)piperidin-1-yl]-1-methylindazol-5-yl]-6-[1-(2-hydroxypropyl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 118226577) has the molecular formula C26H31N7O3 and a molecular weight of 489.58 g/mol. Its IUPAC name is N-[6-[4-(hydroxymethyl)piperidin-1-yl]-1-methylindazol-5-yl]-6-[1-(2-hydroxypropyl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(hydroxymethyl)piperidin-1-yl]-1-methylindazol-5-yl]-6-[1-(2-hydroxypropyl)pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID118226577
Molecular FormulaC26H31N7O3
Molecular Weight489.58 g/mol
Exact Mass489.25
IUPAC NameN-[6-[4-(hydroxymethyl)piperidin-1-yl]-1-methylindazol-5-yl]-6-[1-(2-hydroxypropyl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESCC(O)Cn1cc(-c2cccc(C(=O)Nc3cc4cnn(C)c4cc3N3CCC(CO)CC3)n2)cn1
InChIInChI=1S/C26H31N7O3/c1-17(35)14-33-15-20(13-28-33)21-4-3-5-22(29-21)26(36)30-23-10-19-12-27-31(2)24(19)11-25(23)32-8-6-18(16-34)7-9-32/h3-5,10-13,15,17-18,34-35H,6-9,14,16H2,1-2H3,(H,30,36)
InChIKeyBZOYWQLMIFGASE-UHFFFAOYSA-N
XLogP2.67
TPSA121.33 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(hydroxymethyl)piperidin-1-yl]-1-methylindazol-5-yl]-6-[1-(2-hydroxypropyl)pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[6-[4-(hydroxymethyl)piperidin-1-yl]-1-methylindazol-5-yl]-6-[1-(2-hydroxypropyl)pyrazol-4-yl]pyridine-2-carboxamide (CID 118226577) is N-[6-[4-(hydroxymethyl)piperidin-1-yl]-1-methylindazol-5-yl]-6-[1-(2-hydroxypropyl)pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-[4-(hydroxymethyl)piperidin-1-yl]-1-methylindazol-5-yl]-6-[1-(2-hydroxypropyl)pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-[4-(hydroxymethyl)piperidin-1-yl]-1-methylindazol-5-yl]-6-[1-(2-hydroxypropyl)pyrazol-4-yl]pyridine-2-carboxamide is CC(O)Cn1cc(-c2cccc(C(=O)Nc3cc4cnn(C)c4cc3N3CCC(CO)CC3)n2)cn1.
What is the InChIKey of N-[6-[4-(hydroxymethyl)piperidin-1-yl]-1-methylindazol-5-yl]-6-[1-(2-hydroxypropyl)pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is BZOYWQLMIFGASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O3/c1-17(35)14-33-15-20(13-28-33)21-4-3-5-22(29-21)26(36)30-23-10-19-12-27-31(2)24(19)11-25(23)32-8-6-18(16-34)7-9-32/h3-5,10-13,15,17-18,34-35H,6-9,14,16H2,1-2H3,(H,30,36).
What are the key properties of N-[6-[4-(hydroxymethyl)piperidin-1-yl]-1-methylindazol-5-yl]-6-[1-(2-hydroxypropyl)pyrazol-4-yl]pyridine-2-carboxamide?
N-[6-[4-(hydroxymethyl)piperidin-1-yl]-1-methylindazol-5-yl]-6-[1-(2-hydroxypropyl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 489.58 g/mol, XLogP of 2.67, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(hydroxymethyl)piperidin-1-yl]-1-methylindazol-5-yl]-6-[1-(2-hydroxypropyl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118226577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).