N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide

C47H49Cl2N13O4 — CID 157472252

IUPACN-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CCNCC1
InChIInChI=1S/C24H25ClN6O2.C23H24ClN7O2/c1-30-20(19(15-28-30)24(33)29-22-10-9-18(25)14-27-22)13-21(32)16-5-7-17(8-6-16)23(26)31-11-3-2-4-12-31;1-30-19(18(14-28-30)23(33)29-21-7-6-17(24)13-27-21)12-20(32)15-2-4-16(5-3-15)22(25)31-10-8-26-9-11-31/h5-10,14-15,26H,2-4,11-13H2,1H3,(H,27,29,33);2-7,13-14,25-26H,8-12H2,1H3,(H,27,29,33)/b26-23-;25-22-
InChIKeyBVEGXDZAFMSKKE-CGXHLVFASA-N
MW930.90 g/mol
LogP6.33
Rot. Bonds12

About N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide (PubChem CID 157472252) has the molecular formula C47H49Cl2N13O4 and a molecular weight of 930.90 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide
PubChem CID157472252
Molecular FormulaC47H49Cl2N13O4
Molecular Weight930.90 g/mol
Exact Mass929.34
IUPAC NameN-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide
SMILES[H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CCNCC1
InChIInChI=1S/C24H25ClN6O2.C23H24ClN7O2/c1-30-20(19(15-28-30)24(33)29-22-10-9-18(25)14-27-22)13-21(32)16-5-7-17(8-6-16)23(26)31-11-3-2-4-12-31;1-30-19(18(14-28-30)23(33)29-21-7-6-17(24)13-27-21)12-20(32)15-2-4-16(5-3-15)22(25)31-10-8-26-9-11-31/h5-10,14-15,26H,2-4,11-13H2,1H3,(H,27,29,33);2-7,13-14,25-26H,8-12H2,1H3,(H,27,29,33)/b26-23-;25-22-
InChIKeyBVEGXDZAFMSKKE-CGXHLVFASA-N
XLogP6.33
TPSA219.97 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500930.90
LogP ≤ 56.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

PF-06815345 active metabolite
CID 121268228
N-(3-chloro-2-pyridinyl)-4-[1-methyl-5-(2H-tetrazol-5-yl)pyrazol-4-yl]-N-[(3R)-piperidin-3-yl]benzamide
CID 86279301
US10457669, Example 1028
CID 137478504
4-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]phenyl]-1-methyl-N-(2H-tetrazol-5-yl)pyrazole-5-carboxamide
CID 117652850
US12378224, Example 586
CID 142325459
tert-butyl N-[[3-[[[5-chloro-2-[2-(3-fluorophenyl)ethylamino]-6-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]amino]methyl]-2-pyridinyl]methyl]carbamate
CID 57542353
5-chloro-2-[2-(3-fluorophenyl)ethylamino]-6-(1-methylpyrazol-4-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 57542504
N-[[2-(aminomethyl)-3-pyridinyl]methyl]-5-chloro-2-[2-(3-fluorophenyl)ethylamino]-6-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 57543084
bis[(1S)-1-[5-[4-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]tetrazol-1-yl]ethyl] carbonate
CID 121268214
bis[(1R)-1-[5-[4-[4-[(3-chloro-2-pyridinyl)-[(3R)-piperidin-3-yl]carbamoyl]-2-fluorophenyl]-1-methylpyrazol-5-yl]tetrazol-1-yl]ethyl] carbonate
CID 121268219
4-[7-chloro-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]-N-(5-fluoro-2-pyridinyl)benzamide
CID 134521307
4-[7-chloro-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[4,3-c]pyridin-3-yl]-N-(5-fluoro-2-pyridinyl)benzamide
CID 134521308

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide (CID 157472252) is N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide is [H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CCCCC1.[H]/N=C(/c1ccc(C(=O)Cc2c(C(=O)Nc3ccc(Cl)cn3)cnn2C)cc1)N1CCNCC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide?
The InChIKey is BVEGXDZAFMSKKE-CGXHLVFASA-N. The full InChI is InChI=1S/C24H25ClN6O2.C23H24ClN7O2/c1-30-20(19(15-28-30)24(33)29-22-10-9-18(25)14-27-22)13-21(32)16-5-7-17(8-6-16)23(26)31-11-3-2-4-12-31;1-30-19(18(14-28-30)23(33)29-21-7-6-17(24)13-27-21)12-20(32)15-2-4-16(5-3-15)22(25)31-10-8-26-9-11-31/h5-10,14-15,26H,2-4,11-13H2,1H3,(H,27,29,33);2-7,13-14,25-26H,8-12H2,1H3,(H,27,29,33)/b26-23-;25-22-.
What are the key properties of N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide has a molecular weight of 930.90 g/mol, XLogP of 6.33, 12 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperazine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide;N-(5-chloro-2-pyridinyl)-1-methyl-5-[2-oxo-2-[4-(piperidine-1-carboximidoyl)phenyl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 157472252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).