N-[1-[(1S,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide

C26H31N5O4 — CID 164554883

IUPACN-[1-[(1S,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCC(C)Oc1nc2nc([C@]34CC[C@](C)(C3)OC4)cn2cc1C(=O)Nc1cccn([C@H]2C[C@@H]2C)c1=O
InChIInChI=1S/C26H31N5O4/c1-15(2)35-22-17(21(32)27-18-6-5-9-31(23(18)33)19-10-16(19)3)11-30-12-20(28-24(30)29-22)26-8-7-25(4,13-26)34-14-26/h5-6,9,11-12,15-16,19H,7-8,10,13-14H2,1-4H3,(H,27,32)/t16-,19-,25+,26+/m0/s1
InChIKeyDCUBQNAIDKZDRL-SABOLSGYSA-N
MW477.57 g/mol
LogP3.72
Rot. Bonds6

About N-[1-[(1S,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide

N-[1-[(1S,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 164554883) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is N-[1-[(1S,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[1-[(1S,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
PubChem CID164554883
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC NameN-[1-[(1S,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide
SMILESCC(C)Oc1nc2nc([C@]34CC[C@](C)(C3)OC4)cn2cc1C(=O)Nc1cccn([C@H]2C[C@@H]2C)c1=O
InChIInChI=1S/C26H31N5O4/c1-15(2)35-22-17(21(32)27-18-6-5-9-31(23(18)33)19-10-16(19)3)11-30-12-20(28-24(30)29-22)26-8-7-25(4,13-26)34-14-26/h5-6,9,11-12,15-16,19H,7-8,10,13-14H2,1-4H3,(H,27,32)/t16-,19-,25+,26+/m0/s1
InChIKeyDCUBQNAIDKZDRL-SABOLSGYSA-N
XLogP3.72
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[(1S,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(1S,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[1-[(1S,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide (CID 164554883) is N-[1-[(1S,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[1-[(1S,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[1-[(1S,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide is CC(C)Oc1nc2nc([C@]34CC[C@](C)(C3)OC4)cn2cc1C(=O)Nc1cccn([C@H]2C[C@@H]2C)c1=O.
What is the InChIKey of N-[1-[(1S,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
The InChIKey is DCUBQNAIDKZDRL-SABOLSGYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-15(2)35-22-17(21(32)27-18-6-5-9-31(23(18)33)19-10-16(19)3)11-30-12-20(28-24(30)29-22)26-8-7-25(4,13-26)34-14-26/h5-6,9,11-12,15-16,19H,7-8,10,13-14H2,1-4H3,(H,27,32)/t16-,19-,25+,26+/m0/s1.
What are the key properties of N-[1-[(1S,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide?
N-[1-[(1S,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(1S,2S)-2-methylcyclopropyl]-2-oxo-3-pyridinyl]-2-[(1R,4S)-1-methyl-2-oxabicyclo[2.2.1]heptan-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 164554883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).