[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone

C19H24ClN5O2 — CID 118450568

IUPAC[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone
SMILESCO[C@@H]1CCN(C(=O)C2CCN(c3cnccc3-n3cc(Cl)cn3)CC2)C1
InChIInChI=1S/C19H24ClN5O2/c1-27-16-5-9-24(13-16)19(26)14-3-7-23(8-4-14)18-11-21-6-2-17(18)25-12-15(20)10-22-25/h2,6,10-12,14,16H,3-5,7-9,13H2,1H3/t16-/m1/s1
InChIKeyCOQQETTVFNFCAV-MRXNPFEDSA-N
MW389.89 g/mol
LogP2.38
Rot. Bonds4

About [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone

[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone (PubChem CID 118450568) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone
PubChem CID118450568
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC Name[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone
SMILESCO[C@@H]1CCN(C(=O)C2CCN(c3cnccc3-n3cc(Cl)cn3)CC2)C1
InChIInChI=1S/C19H24ClN5O2/c1-27-16-5-9-24(13-16)19(26)14-3-7-23(8-4-14)18-11-21-6-2-17(18)25-12-15(20)10-22-25/h2,6,10-12,14,16H,3-5,7-9,13H2,1H3/t16-/m1/s1
InChIKeyCOQQETTVFNFCAV-MRXNPFEDSA-N
XLogP2.38
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Cholesterol 24-hydroxylase-IN-1
CID 118450616
N,N-dimethyl-1-(4-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 118450716
1-(4-(4-bromo-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450728
1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450730
N,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
CID 118450576
US9963443, Reference Example 5
CID 76283990
US9963443, Reference Example 3
CID 118450643
US9963443, Reference Example 14
CID 118450653
1-[4-(4-chloropyrazol-1-yl)pyridin-3-yl]-N-cyclopentyl-3,3-difluoropiperidine-4-carboxamide
CID 118450561
9-[(1-Methylpyrazol-4-yl)methyl]-4-pyridin-3-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97392241
(4aR,7aR)-6-[(1-methylpyrazol-4-yl)methyl]-4-(pyridin-4-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 97402718
4-(1-Methylpyrazol-4-yl)-9-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451120

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone?
The IUPAC name of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone (CID 118450568) is [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone?
The canonical SMILES for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone is CO[C@@H]1CCN(C(=O)C2CCN(c3cnccc3-n3cc(Cl)cn3)CC2)C1.
What is the InChIKey of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone?
The InChIKey is COQQETTVFNFCAV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c1-27-16-5-9-24(13-16)19(26)14-3-7-23(8-4-14)18-11-21-6-2-17(18)25-12-15(20)10-22-25/h2,6,10-12,14,16H,3-5,7-9,13H2,1H3/t16-/m1/s1.
What are the key properties of [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone?
[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone has a molecular weight of 389.89 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-[(3R)-3-methoxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 118450568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).