N-[[6-[3-[ethyl(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide

C25H32N8O3 — CID 23143409

IUPACN-[[6-[3-[ethyl(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide
SMILESCCN(C)C(=O)c1cc(-c2ccc(CNC(=O)N3CCN(C)CC3)cn2)n(-c2ccc(OC)nc2)n1
InChIInChI=1S/C25H32N8O3/c1-5-31(3)24(34)21-14-22(33(29-21)19-7-9-23(36-4)27-17-19)20-8-6-18(15-26-20)16-28-25(35)32-12-10-30(2)11-13-32/h6-9,14-15,17H,5,10-13,16H2,1-4H3,(H,28,35)
InChIKeyPANMJVMAVOTKOG-UHFFFAOYSA-N
MW492.58 g/mol
LogP1.89
Rot. Bonds7

About N-[[6-[3-[ethyl(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide

N-[[6-[3-[ethyl(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide (PubChem CID 23143409) has the molecular formula C25H32N8O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[[6-[3-[ethyl(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[6-[3-[ethyl(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide
PubChem CID23143409
Molecular FormulaC25H32N8O3
Molecular Weight492.58 g/mol
Exact Mass492.26
IUPAC NameN-[[6-[3-[ethyl(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide
SMILESCCN(C)C(=O)c1cc(-c2ccc(CNC(=O)N3CCN(C)CC3)cn2)n(-c2ccc(OC)nc2)n1
InChIInChI=1S/C25H32N8O3/c1-5-31(3)24(34)21-14-22(33(29-21)19-7-9-23(36-4)27-17-19)20-8-6-18(15-26-20)16-28-25(35)32-12-10-30(2)11-13-32/h6-9,14-15,17H,5,10-13,16H2,1-4H3,(H,28,35)
InChIKeyPANMJVMAVOTKOG-UHFFFAOYSA-N
XLogP1.89
TPSA108.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[3-[ethyl(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[[6-[3-[ethyl(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide (CID 23143409) is N-[[6-[3-[ethyl(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[[6-[3-[ethyl(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[[6-[3-[ethyl(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide is CCN(C)C(=O)c1cc(-c2ccc(CNC(=O)N3CCN(C)CC3)cn2)n(-c2ccc(OC)nc2)n1.
What is the InChIKey of N-[[6-[3-[ethyl(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is PANMJVMAVOTKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O3/c1-5-31(3)24(34)21-14-22(33(29-21)19-7-9-23(36-4)27-17-19)20-8-6-18(15-26-20)16-28-25(35)32-12-10-30(2)11-13-32/h6-9,14-15,17H,5,10-13,16H2,1-4H3,(H,28,35).
What are the key properties of N-[[6-[3-[ethyl(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide?
N-[[6-[3-[ethyl(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[3-[ethyl(methyl)carbamoyl]-1-(6-methoxy-3-pyridinyl)pyrazol-5-yl]-3-pyridinyl]methyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 23143409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).