[5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone

C20H27ClN6O — CID 133330028

IUPAC[5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCn1cc(N2CCCC(Nc3ncc(C(=O)N4CCCCC4)cc3Cl)C2)cn1
InChIInChI=1S/C20H27ClN6O/c1-25-14-17(12-23-25)27-9-5-6-16(13-27)24-19-18(21)10-15(11-22-19)20(28)26-7-3-2-4-8-26/h10-12,14,16H,2-9,13H2,1H3,(H,22,24)
InChIKeyUYEMTKRZMHFDKA-UHFFFAOYSA-N
MW402.93 g/mol
LogP3.18
Rot. Bonds4

About [5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133330028) has the molecular formula C20H27ClN6O and a molecular weight of 402.93 g/mol. Its IUPAC name is [5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133330028
Molecular FormulaC20H27ClN6O
Molecular Weight402.93 g/mol
Exact Mass402.19
IUPAC Name[5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCn1cc(N2CCCC(Nc3ncc(C(=O)N4CCCCC4)cc3Cl)C2)cn1
InChIInChI=1S/C20H27ClN6O/c1-25-14-17(12-23-25)27-9-5-6-16(13-27)24-19-18(21)10-15(11-22-19)20(28)26-7-3-2-4-8-26/h10-12,14,16H,2-9,13H2,1H3,(H,22,24)
InChIKeyUYEMTKRZMHFDKA-UHFFFAOYSA-N
XLogP3.18
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710
[5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270949
[5-chloro-6-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133376285
azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
[5-chloro-6-[[2-(2-hydroxyethyl)cyclopentyl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133496446
(5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55247680
5-chloro-3-fluoro-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]pyridin-2-amine
CID 146128765
6-[[(3R)-1-benzoylpiperidin-3-yl]amino]-5-chloropyridine-3-carbonitrile
CID 96549568
N-methyl-2-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-3-carboxamide
CID 133330173
[5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 138999240
5-chloro-6-[[1-(2-fluorophenyl)piperidin-3-yl]amino]pyridine-3-carboxamide
CID 133411832

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 133330028) is [5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is Cn1cc(N2CCCC(Nc3ncc(C(=O)N4CCCCC4)cc3Cl)C2)cn1.
What is the InChIKey of [5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is UYEMTKRZMHFDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN6O/c1-25-14-17(12-23-25)27-9-5-6-16(13-27)24-19-18(21)10-15(11-22-19)20(28)26-7-3-2-4-8-26/h10-12,14,16H,2-9,13H2,1H3,(H,22,24).
What are the key properties of [5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 402.93 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[[1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133330028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).