N-[5-cyano-2-[4-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C24H26FN7O3 — CID 150115090

IUPACN-[5-cyano-2-[4-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1cc(CN2CCN(c3ncc(C#N)cc3NC(=O)c3cn(C)nc3OC)CC2)ccc1F
InChIInChI=1S/C24H26FN7O3/c1-30-15-18(24(29-30)35-3)23(33)28-20-10-17(12-26)13-27-22(20)32-8-6-31(7-9-32)14-16-4-5-19(25)21(11-16)34-2/h4-5,10-11,13,15H,6-9,14H2,1-3H3,(H,28,33)
InChIKeyDYBMXARNJLVPCH-UHFFFAOYSA-N
MW479.52 g/mol
LogP2.42
Rot. Bonds7

About N-[5-cyano-2-[4-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[5-cyano-2-[4-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 150115090) has the molecular formula C24H26FN7O3 and a molecular weight of 479.52 g/mol. Its IUPAC name is N-[5-cyano-2-[4-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-2-[4-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID150115090
Molecular FormulaC24H26FN7O3
Molecular Weight479.52 g/mol
Exact Mass479.21
IUPAC NameN-[5-cyano-2-[4-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1cc(CN2CCN(c3ncc(C#N)cc3NC(=O)c3cn(C)nc3OC)CC2)ccc1F
InChIInChI=1S/C24H26FN7O3/c1-30-15-18(24(29-30)35-3)23(33)28-20-10-17(12-26)13-27-22(20)32-8-6-31(7-9-32)14-16-4-5-19(25)21(11-16)34-2/h4-5,10-11,13,15H,6-9,14H2,1-3H3,(H,28,33)
InChIKeyDYBMXARNJLVPCH-UHFFFAOYSA-N
XLogP2.42
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-2-[4-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[5-cyano-2-[4-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 150115090) is N-[5-cyano-2-[4-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-cyano-2-[4-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-cyano-2-[4-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1cc(CN2CCN(c3ncc(C#N)cc3NC(=O)c3cn(C)nc3OC)CC2)ccc1F.
What is the InChIKey of N-[5-cyano-2-[4-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is DYBMXARNJLVPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O3/c1-30-15-18(24(29-30)35-3)23(33)28-20-10-17(12-26)13-27-22(20)32-8-6-31(7-9-32)14-16-4-5-19(25)21(11-16)34-2/h4-5,10-11,13,15H,6-9,14H2,1-3H3,(H,28,33).
What are the key properties of N-[5-cyano-2-[4-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[5-cyano-2-[4-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 479.52 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-2-[4-[(4-fluoro-3-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 150115090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).