N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide

C23H27N5O4 — CID 164554896

IUPACN-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCC(C)Oc1nc2nc(C[C@@H]3CCOC3)cn2cc1C(=O)Nc1cccn(C2CC2)c1=O
InChIInChI=1S/C23H27N5O4/c1-14(2)32-21-18(20(29)25-19-4-3-8-28(22(19)30)17-5-6-17)12-27-11-16(24-23(27)26-21)10-15-7-9-31-13-15/h3-4,8,11-12,14-15,17H,5-7,9-10,13H2,1-2H3,(H,25,29)/t15-/m0/s1
InChIKeyJPKXCYTUHTZFCJ-HNNXBMFYSA-N
MW437.50 g/mol
LogP2.84
Rot. Bonds7

About N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide

N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 164554896) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID164554896
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC NameN-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCC(C)Oc1nc2nc(C[C@@H]3CCOC3)cn2cc1C(=O)Nc1cccn(C2CC2)c1=O
InChIInChI=1S/C23H27N5O4/c1-14(2)32-21-18(20(29)25-19-4-3-8-28(22(19)30)17-5-6-17)12-27-11-16(24-23(27)26-21)10-15-7-9-31-13-15/h3-4,8,11-12,14-15,17H,5-7,9-10,13H2,1-2H3,(H,25,29)/t15-/m0/s1
InChIKeyJPKXCYTUHTZFCJ-HNNXBMFYSA-N
XLogP2.84
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide (CID 164554896) is N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide is CC(C)Oc1nc2nc(C[C@@H]3CCOC3)cn2cc1C(=O)Nc1cccn(C2CC2)c1=O.
What is the InChIKey of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is JPKXCYTUHTZFCJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-14(2)32-21-18(20(29)25-19-4-3-8-28(22(19)30)17-5-6-17)12-27-11-16(24-23(27)26-21)10-15-7-9-31-13-15/h3-4,8,11-12,14-15,17H,5-7,9-10,13H2,1-2H3,(H,25,29)/t15-/m0/s1.
What are the key properties of N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-2-oxo-3-pyridinyl)-2-[[(3R)-oxolan-3-yl]methyl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 164554896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).