N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(2-methylpropylamino)pyridine-2-carboxamide

C25H33N7O3 — CID 118172896

IUPACN-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCOc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cccc(NCC(C)C)n1
InChIInChI=1S/C25H33N7O3/c1-17(2)14-26-23-7-5-6-19(27-23)25(34)28-21-12-18-15-32(29-20(18)13-22(21)35-4)16-24(33)31-10-8-30(3)9-11-31/h5-7,12-13,15,17H,8-11,14,16H2,1-4H3,(H,26,27)(H,28,34)
InChIKeyQLAUDUQNGDGLMA-UHFFFAOYSA-N
MW479.59 g/mol
LogP2.53
Rot. Bonds8

About N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(2-methylpropylamino)pyridine-2-carboxamide

N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(2-methylpropylamino)pyridine-2-carboxamide (PubChem CID 118172896) has the molecular formula C25H33N7O3 and a molecular weight of 479.59 g/mol. Its IUPAC name is N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(2-methylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(2-methylpropylamino)pyridine-2-carboxamide
PubChem CID118172896
Molecular FormulaC25H33N7O3
Molecular Weight479.59 g/mol
Exact Mass479.26
IUPAC NameN-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCOc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cccc(NCC(C)C)n1
InChIInChI=1S/C25H33N7O3/c1-17(2)14-26-23-7-5-6-19(27-23)25(34)28-21-12-18-15-32(29-20(18)13-22(21)35-4)16-24(33)31-10-8-30(3)9-11-31/h5-7,12-13,15,17H,8-11,14,16H2,1-4H3,(H,26,27)(H,28,34)
InChIKeyQLAUDUQNGDGLMA-UHFFFAOYSA-N
XLogP2.53
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(2-methylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(2-methylpropylamino)pyridine-2-carboxamide (CID 118172896) is N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(2-methylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(2-methylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(2-methylpropylamino)pyridine-2-carboxamide is COc1cc2nn(CC(=O)N3CCN(C)CC3)cc2cc1NC(=O)c1cccc(NCC(C)C)n1.
What is the InChIKey of N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(2-methylpropylamino)pyridine-2-carboxamide?
The InChIKey is QLAUDUQNGDGLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N7O3/c1-17(2)14-26-23-7-5-6-19(27-23)25(34)28-21-12-18-15-32(29-20(18)13-22(21)35-4)16-24(33)31-10-8-30(3)9-11-31/h5-7,12-13,15,17H,8-11,14,16H2,1-4H3,(H,26,27)(H,28,34).
What are the key properties of N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(2-methylpropylamino)pyridine-2-carboxamide?
N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(2-methylpropylamino)pyridine-2-carboxamide has a molecular weight of 479.59 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(2-methylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 118172896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).