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

C23H23ClFN7O2 — CID 151329422

IUPACN-[2-[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-5-cyano-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cc(C#N)cnc1N1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C23H23ClFN7O2/c1-30-14-18(23(29-30)34-2)22(33)28-20-9-15(11-26)12-27-21(20)32-7-5-31(6-8-32)13-16-3-4-17(24)10-19(16)25/h3-4,9-10,12,14H,5-8,13H2,1-2H3,(H,28,33)
InChIKeyOIDGUUIXPDBNON-UHFFFAOYSA-N
MW483.94 g/mol
LogP3.06
Rot. Bonds6

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

N-[2-[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-5-cyano-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 151329422) has the molecular formula C23H23ClFN7O2 and a molecular weight of 483.94 g/mol. Its IUPAC name is N-[2-[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-5-cyano-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-5-cyano-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID151329422
Molecular FormulaC23H23ClFN7O2
Molecular Weight483.94 g/mol
Exact Mass483.16
IUPAC NameN-[2-[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-5-cyano-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cc(C#N)cnc1N1CCN(Cc2ccc(Cl)cc2F)CC1
InChIInChI=1S/C23H23ClFN7O2/c1-30-14-18(23(29-30)34-2)22(33)28-20-9-15(11-26)12-27-21(20)32-7-5-31(6-8-32)13-16-3-4-17(24)10-19(16)25/h3-4,9-10,12,14H,5-8,13H2,1-2H3,(H,28,33)
InChIKeyOIDGUUIXPDBNON-UHFFFAOYSA-N
XLogP3.06
TPSA99.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.94
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-cyano-2-[4-[(5-cyano-2-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 150818561
N-[5-cyano-2-[4-[(3-cyano-4-fluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 135349243
N-[5-cyano-2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
CID 151138887
N-[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091902
N-[4-[(4-cyanophenyl)carbamoyl]phenyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121080000
N-[5-cyano-2-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]phenyl]-2-methoxypyridine-3-carboxamide
CID 149264745
3-fluoro-4-[[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]methyl]benzonitrile
CID 171995812
N-(4-cyano-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 103820430
2-[3-fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-[2-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]ethynyl]-4-methylbenzamide
CID 175044839
N-[6-(1-cyanocyclopropyl)-3-[4-(2,4-difluorophenoxy)piperidin-1-yl]pyrazin-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 178142815
5-chloro-6-[(3S)-4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]pyridine-3-carbohydrazide
CID 59427698
5-chloro-6-[4-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]-3-hydroxypiperazin-1-yl]-N-ethylpyridine-3-carboxamide
CID 70861210

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-5-cyano-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-5-cyano-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 151329422) is N-[2-[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-5-cyano-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-5-cyano-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-5-cyano-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)Nc1cc(C#N)cnc1N1CCN(Cc2ccc(Cl)cc2F)CC1.
What is the InChIKey of N-[2-[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-5-cyano-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is OIDGUUIXPDBNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN7O2/c1-30-14-18(23(29-30)34-2)22(33)28-20-9-15(11-26)12-27-21(20)32-7-5-31(6-8-32)13-16-3-4-17(24)10-19(16)25/h3-4,9-10,12,14H,5-8,13H2,1-2H3,(H,28,33).
What are the key properties of N-[2-[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-5-cyano-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[2-[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-5-cyano-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 483.94 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]-5-cyano-3-pyridinyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 151329422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).