6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(1-oxidopyridin-1-ium-3-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine

C20H19ClN8O2 — CID 11951484

IUPAC6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(1-oxidopyridin-1-ium-3-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(Cl)nc(N3CCC[C@H]3c3cc(-c4ccc[n+]([O-])c4)no3)n2)n[nH]1
InChIInChI=1S/C20H19ClN8O2/c1-12-8-19(26-25-12)23-18-10-17(21)22-20(24-18)29-7-3-5-15(29)16-9-14(27-31-16)13-4-2-6-28(30)11-13/h2,4,6,8-11,15H,3,5,7H2,1H3,(H2,22,23,24,25,26)/t15-/m0/s1
InChIKeyJVZKUKQBFIYXPM-HNNXBMFYSA-N
MW438.88 g/mol
LogP3.54
Rot. Bonds5

About 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(1-oxidopyridin-1-ium-3-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine

6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(1-oxidopyridin-1-ium-3-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 11951484) has the molecular formula C20H19ClN8O2 and a molecular weight of 438.88 g/mol. Its IUPAC name is 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(1-oxidopyridin-1-ium-3-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(1-oxidopyridin-1-ium-3-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID11951484
Molecular FormulaC20H19ClN8O2
Molecular Weight438.88 g/mol
Exact Mass438.13
IUPAC Name6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(1-oxidopyridin-1-ium-3-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCc1cc(Nc2cc(Cl)nc(N3CCC[C@H]3c3cc(-c4ccc[n+]([O-])c4)no3)n2)n[nH]1
InChIInChI=1S/C20H19ClN8O2/c1-12-8-19(26-25-12)23-18-10-17(21)22-20(24-18)29-7-3-5-15(29)16-9-14(27-31-16)13-4-2-6-28(30)11-13/h2,4,6,8-11,15H,3,5,7H2,1H3,(H2,22,23,24,25,26)/t15-/m0/s1
InChIKeyJVZKUKQBFIYXPM-HNNXBMFYSA-N
XLogP3.54
TPSA122.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.88
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(1-oxidopyridin-1-ium-3-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyrimidin-2-yl-1,2-oxazol-5-yl)azetidin-1-yl]pyrimidin-4-amine
CID 11852277
6-chloro-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 87748067
6-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-2-[2-(3-pyrazin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 87585148
6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 11315620
6-iodo-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 11409698
N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
CID 11950964
N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 68813663
N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-6-(2-trimethylsilylethynyl)pyrimidin-4-amine
CID 68814017
2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 68815931
6-(3-aminoprop-1-ynyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
CID 68816102
6-(2-methoxyethoxy)-2-[(2S)-2-[3-(3-methylpyrazin-2-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 11951842
N-cyclopentyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 68815718

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(1-oxidopyridin-1-ium-3-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(1-oxidopyridin-1-ium-3-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 11951484) is 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(1-oxidopyridin-1-ium-3-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(1-oxidopyridin-1-ium-3-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(1-oxidopyridin-1-ium-3-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine is Cc1cc(Nc2cc(Cl)nc(N3CCC[C@H]3c3cc(-c4ccc[n+]([O-])c4)no3)n2)n[nH]1.
What is the InChIKey of 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(1-oxidopyridin-1-ium-3-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is JVZKUKQBFIYXPM-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19ClN8O2/c1-12-8-19(26-25-12)23-18-10-17(21)22-20(24-18)29-7-3-5-15(29)16-9-14(27-31-16)13-4-2-6-28(30)11-13/h2,4,6,8-11,15H,3,5,7H2,1H3,(H2,22,23,24,25,26)/t15-/m0/s1.
What are the key properties of 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(1-oxidopyridin-1-ium-3-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine?
6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(1-oxidopyridin-1-ium-3-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 438.88 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-[(2S)-2-[3-(1-oxidopyridin-1-ium-3-yl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 11951484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).