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

C24H31N7O3 — CID 118172875

IUPACN-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)Nc2cc3cn(CC(=O)N4CCN(C)CC4)nc3cc2OC)n1
InChIInChI=1S/C24H31N7O3/c1-4-8-25-22-7-5-6-18(26-22)24(33)27-20-13-17-15-31(28-19(17)14-21(20)34-3)16-23(32)30-11-9-29(2)10-12-30/h5-7,13-15H,4,8-12,16H2,1-3H3,(H,25,26)(H,27,33)
InChIKeyDNFOMNNYRKOPAX-UHFFFAOYSA-N
MW465.56 g/mol
LogP2.29
Rot. Bonds8

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

N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide (PubChem CID 118172875) has the molecular formula C24H31N7O3 and a molecular weight of 465.56 g/mol. Its IUPAC name is N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide
PubChem CID118172875
Molecular FormulaC24H31N7O3
Molecular Weight465.56 g/mol
Exact Mass465.25
IUPAC NameN-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1cccc(C(=O)Nc2cc3cn(CC(=O)N4CCN(C)CC4)nc3cc2OC)n1
InChIInChI=1S/C24H31N7O3/c1-4-8-25-22-7-5-6-18(26-22)24(33)27-20-13-17-15-31(28-19(17)14-21(20)34-3)16-23(32)30-11-9-29(2)10-12-30/h5-7,13-15H,4,8-12,16H2,1-3H3,(H,25,26)(H,27,33)
InChIKeyDNFOMNNYRKOPAX-UHFFFAOYSA-N
XLogP2.29
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 52.29
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-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide (CID 118172875) is N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide is CCCNc1cccc(C(=O)Nc2cc3cn(CC(=O)N4CCN(C)CC4)nc3cc2OC)n1.
What is the InChIKey of N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is DNFOMNNYRKOPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O3/c1-4-8-25-22-7-5-6-18(26-22)24(33)27-20-13-17-15-31(28-19(17)14-21(20)34-3)16-23(32)30-11-9-29(2)10-12-30/h5-7,13-15H,4,8-12,16H2,1-3H3,(H,25,26)(H,27,33).
What are the key properties of N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide?
N-[6-methoxy-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indazol-5-yl]-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 465.56 g/mol, XLogP of 2.29, 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-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 118172875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).