N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride

C22H21Cl2F2N7O2 — CID 21072733

IUPACN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(F)c(F)cc1C(=O)Nc1ccc(Cl)cn1)c1cnc(N2CCCNCC2)cn1
InChIInChI=1S/C22H20ClF2N7O2.ClH/c23-13-2-3-19(28-10-13)31-21(33)14-8-15(24)16(25)9-17(14)30-22(34)18-11-29-20(12-27-18)32-6-1-4-26-5-7-32;/h2-3,8-12,26H,1,4-7H2,(H,30,34)(H,28,31,33);1H
InChIKeyYMLYXIGLQFFGCH-UHFFFAOYSA-N
MW524.36 g/mol
LogP3.53
Rot. Bonds5

About N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride (PubChem CID 21072733) has the molecular formula C22H21Cl2F2N7O2 and a molecular weight of 524.36 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride
PubChem CID21072733
Molecular FormulaC22H21Cl2F2N7O2
Molecular Weight524.36 g/mol
Exact Mass523.11
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(F)c(F)cc1C(=O)Nc1ccc(Cl)cn1)c1cnc(N2CCCNCC2)cn1
InChIInChI=1S/C22H20ClF2N7O2.ClH/c23-13-2-3-19(28-10-13)31-21(33)14-8-15(24)16(25)9-17(14)30-22(34)18-11-29-20(12-27-18)32-6-1-4-26-5-7-32;/h2-3,8-12,26H,1,4-7H2,(H,30,34)(H,28,31,33);1H
InChIKeyYMLYXIGLQFFGCH-UHFFFAOYSA-N
XLogP3.53
TPSA112.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.36
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide
CID 58780359
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-(1,4-diazepan-1-yl)pyrimidine-2-carboxamide
CID 10183642
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepan-1-yl)benzoyl]amino]benzamide
CID 21075332
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-methoxyphenyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 10184349
3-[[5-(4-acetyl-1,4-diazepan-1-yl)pyrazine-2-carbonyl]amino]-4-[(5-chloro-2-pyridinyl)carbamoyl]benzoic acid
CID 58780361
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-6-(1,4-diazepan-1-yl)pyridazine-3-carboxamide
CID 21072732
N-[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]-5-(4-methyl-1,4-diazepan-1-yl)pyrazine-2-carboxamide
CID 21072746
5-(1,4-diazepan-1-yl)-N-quinolin-7-ylpyrazine-2-carboxamide
CID 166299507
N-(2-fluorophenyl)-5-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 109273799
5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109289339
N-(5-benzyl-1-methylpyrazol-4-yl)-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide
CID 167815355
tert-butyl 4-[5-[[4-chloro-2-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]carbamoyl]pyrazin-2-yl]-1,4-diazepane-1-carboxylate
CID 21072692

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride (CID 21072733) is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride is Cl.O=C(Nc1cc(F)c(F)cc1C(=O)Nc1ccc(Cl)cn1)c1cnc(N2CCCNCC2)cn1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride?
The InChIKey is YMLYXIGLQFFGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClF2N7O2.ClH/c23-13-2-3-19(28-10-13)31-21(33)14-8-15(24)16(25)9-17(14)30-22(34)18-11-29-20(12-27-18)32-6-1-4-26-5-7-32;/h2-3,8-12,26H,1,4-7H2,(H,30,34)(H,28,31,33);1H.
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride?
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride has a molecular weight of 524.36 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 21072733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).