[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone

C22H25ClN6O — CID 139007404

IUPAC[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone
SMILESCc1cccc(NCC2CCCN2C(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)n1
InChIInChI=1S/C22H25ClN6O/c1-14-6-4-8-19(25-14)24-13-17-7-5-11-28(17)22(30)21-18(23)9-10-20(26-21)29-16(3)12-15(2)27-29/h4,6,8-10,12,17H,5,7,11,13H2,1-3H3,(H,24,25)
InChIKeyCDDSRALFPVLHBP-UHFFFAOYSA-N
MW424.94 g/mol
LogP3.96
Rot. Bonds5

About [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone

[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone (PubChem CID 139007404) has the molecular formula C22H25ClN6O and a molecular weight of 424.94 g/mol. Its IUPAC name is [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone
PubChem CID139007404
Molecular FormulaC22H25ClN6O
Molecular Weight424.94 g/mol
Exact Mass424.18
IUPAC Name[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone
SMILESCc1cccc(NCC2CCCN2C(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)n1
InChIInChI=1S/C22H25ClN6O/c1-14-6-4-8-19(25-14)24-13-17-7-5-11-28(17)22(30)21-18(23)9-10-20(26-21)29-16(3)12-15(2)27-29/h4,6,8-10,12,17H,5,7,11,13H2,1-3H3,(H,24,25)
InChIKeyCDDSRALFPVLHBP-UHFFFAOYSA-N
XLogP3.96
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 78829736
2-methyl-1-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
CID 56792624
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(3-methylpiperazin-1-yl)methanone
CID 119578584
3-chloro-N-[2-(cycloheptylamino)ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 119620338
[3-chloro-6-(ethylamino)-2-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 55042109
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 78829190
2,2-dimethyl-N-[3-[(2S)-2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-3-oxopropyl]propanamide
CID 95980637
N-[2-(aminomethyl)cyclohexyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide;hydrochloride
CID 120615887
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 78866642
N-(1-benzylpiperidin-4-yl)-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78784946
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)pyridine-2-carboxamide
CID 112826428
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(pyridine-4-carbonylamino)phenyl]pyridine-2-carboxamide
CID 78861473

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone (CID 139007404) is [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone is Cc1cccc(NCC2CCCN2C(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)n1.
What is the InChIKey of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone?
The InChIKey is CDDSRALFPVLHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O/c1-14-6-4-8-19(25-14)24-13-17-7-5-11-28(17)22(30)21-18(23)9-10-20(26-21)29-16(3)12-15(2)27-29/h4,6,8-10,12,17H,5,7,11,13H2,1-3H3,(H,24,25).
What are the key properties of [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone?
[3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 424.94 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]-[2-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 139007404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).