(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone

C23H30N6O2 — CID 95834479

IUPAC(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone
SMILESCC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)c3cc(C4CCCCC4)no3)ccc12
InChIInChI=1S/C23H30N6O2/c1-14(2)24-21-16-10-11-17(25-22(16)27-26-21)19-9-6-12-29(19)23(30)20-13-18(28-31-20)15-7-4-3-5-8-15/h10-11,13-15,19H,3-9,12H2,1-2H3,(H2,24,25,26,27)/t19-/m1/s1
InChIKeyHDGCJIFQZFFCML-LJQANCHMSA-N
MW422.53 g/mol
LogP4.79
Rot. Bonds5

About (3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone

(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone (PubChem CID 95834479) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is (3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone
PubChem CID95834479
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone
SMILESCC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)c3cc(C4CCCCC4)no3)ccc12
InChIInChI=1S/C23H30N6O2/c1-14(2)24-21-16-10-11-17(25-22(16)27-26-21)19-9-6-12-29(19)23(30)20-13-18(28-31-20)15-7-4-3-5-8-15/h10-11,13-15,19H,3-9,12H2,1-2H3,(H2,24,25,26,27)/t19-/m1/s1
InChIKeyHDGCJIFQZFFCML-LJQANCHMSA-N
XLogP4.79
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone (CID 95834479) is (3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone is CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)c3cc(C4CCCCC4)no3)ccc12.
What is the InChIKey of (3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone?
The InChIKey is HDGCJIFQZFFCML-LJQANCHMSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-14(2)24-21-16-10-11-17(25-22(16)27-26-21)19-9-6-12-29(19)23(30)20-13-18(28-31-20)15-7-4-3-5-8-15/h10-11,13-15,19H,3-9,12H2,1-2H3,(H2,24,25,26,27)/t19-/m1/s1.
What are the key properties of (3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone?
(3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone has a molecular weight of 422.53 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-1,2-oxazol-5-yl)-[(2R)-2-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95834479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).