[4-[7-(4-chlorophenyl)-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone

C22H21ClN6O2 — CID 172639866

IUPAC[4-[7-(4-chlorophenyl)-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1cc(-c2ccc(Cl)cc2)c2nc(N3CCN(C(=O)c4cnn(C)c4)CC3)oc2n1
InChIInChI=1S/C22H21ClN6O2/c1-14-11-18(15-3-5-17(23)6-4-15)19-20(25-14)31-22(26-19)29-9-7-28(8-10-29)21(30)16-12-24-27(2)13-16/h3-6,11-13H,7-10H2,1-2H3
InChIKeyCVWQDEBUSLPKDA-UHFFFAOYSA-N
MW436.90 g/mol
LogP3.55
Rot. Bonds3

About [4-[7-(4-chlorophenyl)-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone

[4-[7-(4-chlorophenyl)-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 172639866) has the molecular formula C22H21ClN6O2 and a molecular weight of 436.90 g/mol. Its IUPAC name is [4-[7-(4-chlorophenyl)-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[7-(4-chlorophenyl)-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID172639866
Molecular FormulaC22H21ClN6O2
Molecular Weight436.90 g/mol
Exact Mass436.14
IUPAC Name[4-[7-(4-chlorophenyl)-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1cc(-c2ccc(Cl)cc2)c2nc(N3CCN(C(=O)c4cnn(C)c4)CC3)oc2n1
InChIInChI=1S/C22H21ClN6O2/c1-14-11-18(15-3-5-17(23)6-4-15)19-20(25-14)31-22(26-19)29-9-7-28(8-10-29)21(30)16-12-24-27(2)13-16/h3-6,11-13H,7-10H2,1-2H3
InChIKeyCVWQDEBUSLPKDA-UHFFFAOYSA-N
XLogP3.55
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[7-(4-chlorophenyl)-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone with MolForge

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Related Compounds

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(3S)-5-chloro-3-methyl-2-[4-methyl-5-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]-3-pyridinyl]-3H-isoindol-1-one
CID 155297858
[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
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[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
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1-[4-[2-(4-chlorophenyl)-6-methylpyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 154857430
(1-methylpyrazol-4-yl)-[4-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
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(4-chlorophenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
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[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of [4-[7-(4-chlorophenyl)-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [4-[7-(4-chlorophenyl)-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 172639866) is [4-[7-(4-chlorophenyl)-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[7-(4-chlorophenyl)-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[7-(4-chlorophenyl)-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cc1cc(-c2ccc(Cl)cc2)c2nc(N3CCN(C(=O)c4cnn(C)c4)CC3)oc2n1.
What is the InChIKey of [4-[7-(4-chlorophenyl)-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is CVWQDEBUSLPKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O2/c1-14-11-18(15-3-5-17(23)6-4-15)19-20(25-14)31-22(26-19)29-9-7-28(8-10-29)21(30)16-12-24-27(2)13-16/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of [4-[7-(4-chlorophenyl)-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[4-[7-(4-chlorophenyl)-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 436.90 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[7-(4-chlorophenyl)-5-methyl-[1,3]oxazolo[5,4-b]pyridin-2-yl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 172639866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).