[5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone

C22H25ClN6O — CID 133271056

IUPAC[5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1cc(C)n(-c2ccc(CNc3ncc(C(=O)N4CCCCC4)cc3Cl)cn2)n1
InChIInChI=1S/C22H25ClN6O/c1-15-10-16(2)29(27-15)20-7-6-17(12-24-20)13-25-21-19(23)11-18(14-26-21)22(30)28-8-4-3-5-9-28/h6-7,10-12,14H,3-5,8-9,13H2,1-2H3,(H,25,26)
InChIKeyDVYCAZWVTBPVDC-UHFFFAOYSA-N
MW424.94 g/mol
LogP4.17
Rot. Bonds5

About [5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133271056) has the molecular formula C22H25ClN6O and a molecular weight of 424.94 g/mol. Its IUPAC name is [5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133271056
Molecular FormulaC22H25ClN6O
Molecular Weight424.94 g/mol
Exact Mass424.18
IUPAC Name[5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1cc(C)n(-c2ccc(CNc3ncc(C(=O)N4CCCCC4)cc3Cl)cn2)n1
InChIInChI=1S/C22H25ClN6O/c1-15-10-16(2)29(27-15)20-7-6-17(12-24-20)13-25-21-19(23)11-18(14-26-21)22(30)28-8-4-3-5-9-28/h6-7,10-12,14H,3-5,8-9,13H2,1-2H3,(H,25,26)
InChIKeyDVYCAZWVTBPVDC-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270998
[5-chloro-6-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133273389
[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271116
[5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270903
[5-chloro-6-(thiophen-3-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270974
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-[(3-methylthiophen-2-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270919
[5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 138999240
[5-chloro-6-[(4-methylphenyl)methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 75417189
5-chloro-6-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carboxylic acid
CID 62990731
[5-chloro-6-(4-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 56584592

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 133271056) is [5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone is Cc1cc(C)n(-c2ccc(CNc3ncc(C(=O)N4CCCCC4)cc3Cl)cn2)n1.
What is the InChIKey of [5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is DVYCAZWVTBPVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN6O/c1-15-10-16(2)29(27-15)20-7-6-17(12-24-20)13-25-21-19(23)11-18(14-26-21)22(30)28-8-4-3-5-9-28/h6-7,10-12,14H,3-5,8-9,13H2,1-2H3,(H,25,26).
What are the key properties of [5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 424.94 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133271056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).