(3S)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]oxolane-3-carboxamide

C18H18N6O2 — CID 122290663

IUPAC(3S)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]oxolane-3-carboxamide
SMILESO=C(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)[C@H]1CCOC1
InChIInChI=1S/C18H18N6O2/c25-18(13-6-9-26-11-13)23-15-4-2-14(3-5-15)22-16-10-17(20-12-19-16)24-8-1-7-21-24/h1-5,7-8,10,12-13H,6,9,11H2,(H,23,25)(H,19,20,22)/t13-/m0/s1
InChIKeyWARWSKVBFLQGTO-ZDUSSCGKSA-N
MW350.38 g/mol
LogP2.38
Rot. Bonds5

About (3S)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]oxolane-3-carboxamide

(3S)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]oxolane-3-carboxamide (PubChem CID 122290663) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is (3S)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]oxolane-3-carboxamide
PubChem CID122290663
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name(3S)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]oxolane-3-carboxamide
SMILESO=C(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)[C@H]1CCOC1
InChIInChI=1S/C18H18N6O2/c25-18(13-6-9-26-11-13)23-15-4-2-14(3-5-15)22-16-10-17(20-12-19-16)24-8-1-7-21-24/h1-5,7-8,10,12-13H,6,9,11H2,(H,23,25)(H,19,20,22)/t13-/m0/s1
InChIKeyWARWSKVBFLQGTO-ZDUSSCGKSA-N
XLogP2.38
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]oxolane-3-carboxamide
CID 122291873
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]oxolane-3-carboxamide
CID 122304865
1-(1,3-benzodioxol-5-yl)-3-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 121073012
2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122290694
oxolan-3-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337280
N-[4-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]phenyl]cyclobutanecarboxamide
CID 122291838
1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide
CID 122290639
(E)-3-(2-chlorophenyl)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]prop-2-enamide
CID 122290582
N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]oxolane-3-carboxamide
CID 122312470
4-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-thiazole-5-carboxamide
CID 122290710
2-(4-methoxyphenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122290600
1-(6-pyrazol-1-ylpyrimidin-4-yl)-N-pyridin-4-ylpiperidine-3-carboxamide
CID 90520525

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]oxolane-3-carboxamide (CID 122290663) is (3S)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]oxolane-3-carboxamide is O=C(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]oxolane-3-carboxamide?
The InChIKey is WARWSKVBFLQGTO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-18(13-6-9-26-11-13)23-15-4-2-14(3-5-15)22-16-10-17(20-12-19-16)24-8-1-7-21-24/h1-5,7-8,10,12-13H,6,9,11H2,(H,23,25)(H,19,20,22)/t13-/m0/s1.
What are the key properties of (3S)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]oxolane-3-carboxamide?
(3S)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]oxolane-3-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 122290663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).