(2R,4R)-1-[4-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-methoxypyrrolidine-2-carbonitrile

C20H23ClN6O2 — CID 118450529

IUPAC(2R,4R)-1-[4-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-methoxypyrrolidine-2-carbonitrile
SMILESCO[C@@H]1C[C@H](C#N)N(C(=O)C2(c3cnccc3-n3cc(Cl)cn3)CCNCC2)C1
InChIInChI=1S/C20H23ClN6O2/c1-29-16-8-15(9-22)26(13-16)19(28)20(3-6-23-7-4-20)17-11-24-5-2-18(17)27-12-14(21)10-25-27/h2,5,10-12,15-16,23H,3-4,6-8,13H2,1H3/t15-,16-/m1/s1
InChIKeyLQQSMMOTIULAQE-HZPDHXFCSA-N
MW414.90 g/mol
LogP1.68
Rot. Bonds4

About (2R,4R)-1-[4-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-methoxypyrrolidine-2-carbonitrile

(2R,4R)-1-[4-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-methoxypyrrolidine-2-carbonitrile (PubChem CID 118450529) has the molecular formula C20H23ClN6O2 and a molecular weight of 414.90 g/mol. Its IUPAC name is (2R,4R)-1-[4-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-methoxypyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2R,4R)-1-[4-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-methoxypyrrolidine-2-carbonitrile
PubChem CID118450529
Molecular FormulaC20H23ClN6O2
Molecular Weight414.90 g/mol
Exact Mass414.16
IUPAC Name(2R,4R)-1-[4-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-methoxypyrrolidine-2-carbonitrile
SMILESCO[C@@H]1C[C@H](C#N)N(C(=O)C2(c3cnccc3-n3cc(Cl)cn3)CCNCC2)C1
InChIInChI=1S/C20H23ClN6O2/c1-29-16-8-15(9-22)26(13-16)19(28)20(3-6-23-7-4-20)17-11-24-5-2-18(17)27-12-14(21)10-25-27/h2,5,10-12,15-16,23H,3-4,6-8,13H2,1H3/t15-,16-/m1/s1
InChIKeyLQQSMMOTIULAQE-HZPDHXFCSA-N
XLogP1.68
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.90
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2R,4R)-1-[4-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-methoxypyrrolidine-2-carbonitrile with MolForge

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Related Compounds

8-[3-Chloro-5-(1-morpholin-4-ylpyrazol-4-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 162662161
US9963443, Reference Example 13
CID 146047738
(2R,4S)-4-methoxy-1-((1-(4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl)piperidin-4-yl)carbonyl)pyrrolidine-2-carbonitrile
CID 118450494
(1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)piperidin-4-yl)((3S)-3-methoxypyrrolidin-1-yl)methanone
CID 118450566
(1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)piperidin-4-yl)((3R)-3-methoxypyrrolidin-1-yl)methanone
CID 118450568
(2R,4R)-4-methoxy-1-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carbonitrile
CID 118450747
2-[(3S)-4-[3-(4-chloropyrazol-1-yl)propanoyl]morpholin-3-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 95867607
[1-[4-(4-Chloropyrazol-1-yl)-3-pyridinyl]piperidin-4-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 118450415
(2R,4S)-4-ethoxy-1-[1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]pyrrolidine-2-carbonitrile
CID 118450435
1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)-N-((3R)-tetrahydrofuran-3-yl)piperidine-4-carboxamide
CID 118450483
(2R,4R)-1-[1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-hydroxypyrrolidine-2-carbonitrile
CID 118450524
1-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]-N-(oxolan-3-yl)piperidine-4-carboxamide
CID 118450631

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[4-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-methoxypyrrolidine-2-carbonitrile?
The IUPAC name of (2R,4R)-1-[4-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-methoxypyrrolidine-2-carbonitrile (CID 118450529) is (2R,4R)-1-[4-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-methoxypyrrolidine-2-carbonitrile.
What is the SMILES notation for (2R,4R)-1-[4-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-methoxypyrrolidine-2-carbonitrile?
The canonical SMILES for (2R,4R)-1-[4-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-methoxypyrrolidine-2-carbonitrile is CO[C@@H]1C[C@H](C#N)N(C(=O)C2(c3cnccc3-n3cc(Cl)cn3)CCNCC2)C1.
What is the InChIKey of (2R,4R)-1-[4-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-methoxypyrrolidine-2-carbonitrile?
The InChIKey is LQQSMMOTIULAQE-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H23ClN6O2/c1-29-16-8-15(9-22)26(13-16)19(28)20(3-6-23-7-4-20)17-11-24-5-2-18(17)27-12-14(21)10-25-27/h2,5,10-12,15-16,23H,3-4,6-8,13H2,1H3/t15-,16-/m1/s1.
What are the key properties of (2R,4R)-1-[4-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-methoxypyrrolidine-2-carbonitrile?
(2R,4R)-1-[4-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-methoxypyrrolidine-2-carbonitrile has a molecular weight of 414.90 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[4-[4-(4-chloropyrazol-1-yl)-3-pyridinyl]piperidine-4-carbonyl]-4-methoxypyrrolidine-2-carbonitrile is sourced from PubChem (CID 118450529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).