2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-6-methyl-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;6-methyl-3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C37H40Cl2N12O — CID 158575911

IUPAC2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-6-methyl-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;6-methyl-3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCc1ccnc(-c2cnn3c2CN(C(=O)Nc2ccnc(Cl)c2)C(C)C3)c1.Cc1ccnc(-c2cnn3c2CNC(C)C3)c1.Nc1ccnc(Cl)c1
InChIInChI=1S/C19H19ClN6O.C13H16N4.C5H5ClN2/c1-12-3-5-21-16(7-12)15-9-23-26-10-13(2)25(11-17(15)26)19(27)24-14-4-6-22-18(20)8-14;1-9-3-4-14-12(5-9)11-6-16-17-8-10(2)15-7-13(11)17;6-5-3-4(7)1-2-8-5/h3-9,13H,10-11H2,1-2H3,(H,22,24,27);3-6,10,15H,7-8H2,1-2H3;1-3H,(H2,7,8)
InChIKeyHSQQTEGEHXADQB-UHFFFAOYSA-N
MW739.72 g/mol
LogP6.80
Rot. Bonds3

About 2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-6-methyl-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;6-methyl-3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-6-methyl-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;6-methyl-3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 158575911) has the molecular formula C37H40Cl2N12O and a molecular weight of 739.72 g/mol. Its IUPAC name is 2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-6-methyl-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;6-methyl-3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-6-methyl-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;6-methyl-3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID158575911
Molecular FormulaC37H40Cl2N12O
Molecular Weight739.72 g/mol
Exact Mass738.28
IUPAC Name2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-6-methyl-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;6-methyl-3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCc1ccnc(-c2cnn3c2CN(C(=O)Nc2ccnc(Cl)c2)C(C)C3)c1.Cc1ccnc(-c2cnn3c2CNC(C)C3)c1.Nc1ccnc(Cl)c1
InChIInChI=1S/C19H19ClN6O.C13H16N4.C5H5ClN2/c1-12-3-5-21-16(7-12)15-9-23-26-10-13(2)25(11-17(15)26)19(27)24-14-4-6-22-18(20)8-14;1-9-3-4-14-12(5-9)11-6-16-17-8-10(2)15-7-13(11)17;6-5-3-4(7)1-2-8-5/h3-9,13H,10-11H2,1-2H3,(H,22,24,27);3-6,10,15H,7-8H2,1-2H3;1-3H,(H2,7,8)
InChIKeyHSQQTEGEHXADQB-UHFFFAOYSA-N
XLogP6.80
TPSA157.59 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500739.72
LogP ≤ 56.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-6-methyl-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;6-methyl-3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine with MolForge

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Related Compounds

1-(2,6-Dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea
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7-[[2-(5-chloro-2-fluorophenyl)-5-methyl-4-pyridinyl]amino]-N-methylpyrazolo[4,3-b]pyridine-1-carboxamide
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(S)-1-(3-chloro-6-(6-(5-ethylpyridin-3-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)piperidin-3-amine
CID 86707037
5-chloro-N-(3,5-dimethyl-1-piperidin-4-ylpyrazol-4-yl)-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-amine
CID 127050851
1-[4-[4-[(5-Chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]ethanone
CID 127050852
1-[4-[4-[(5-Chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-ethylpyrazol-1-yl]piperidin-1-yl]ethanone
CID 127050854
1-[4-[4-[(5-Chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-ethylpyrazol-1-yl]piperidin-1-yl]ethanone
CID 127050855
2-Amino-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]ethanone
CID 127051126
(2S)-2-amino-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 127051127
(2R)-2-amino-1-[4-[4-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]propan-1-one
CID 127051128
1-[4-[4-[(5-Chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]-2-(methylamino)ethanone
CID 127051129
1-[4-[4-[(5-Chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone
CID 127051621

Frequently Asked Questions

What is the IUPAC name of 2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-6-methyl-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;6-methyl-3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-6-methyl-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;6-methyl-3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 158575911) is 2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-6-methyl-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;6-methyl-3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-6-methyl-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;6-methyl-3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-6-methyl-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;6-methyl-3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is Cc1ccnc(-c2cnn3c2CN(C(=O)Nc2ccnc(Cl)c2)C(C)C3)c1.Cc1ccnc(-c2cnn3c2CNC(C)C3)c1.Nc1ccnc(Cl)c1.
What is the InChIKey of 2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-6-methyl-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;6-methyl-3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is HSQQTEGEHXADQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O.C13H16N4.C5H5ClN2/c1-12-3-5-21-16(7-12)15-9-23-26-10-13(2)25(11-17(15)26)19(27)24-14-4-6-22-18(20)8-14;1-9-3-4-14-12(5-9)11-6-16-17-8-10(2)15-7-13(11)17;6-5-3-4(7)1-2-8-5/h3-9,13H,10-11H2,1-2H3,(H,22,24,27);3-6,10,15H,7-8H2,1-2H3;1-3H,(H2,7,8).
What are the key properties of 2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-6-methyl-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;6-methyl-3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-6-methyl-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;6-methyl-3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 739.72 g/mol, XLogP of 6.80, 3 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyridin-4-amine;N-(2-chloro-4-pyridinyl)-6-methyl-3-(4-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide;6-methyl-3-(4-methyl-2-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 158575911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).