N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide

C17H16N4O2 — CID 94176071

IUPACN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NC[C@H]1COc2ccccc2C1)c1cn2cccnc2n1
InChIInChI=1S/C17H16N4O2/c22-16(14-10-21-7-3-6-18-17(21)20-14)19-9-12-8-13-4-1-2-5-15(13)23-11-12/h1-7,10,12H,8-9,11H2,(H,19,22)/t12-/m0/s1
InChIKeyNXGMSGAKFFVWQY-LBPRGKRZSA-N
MW308.34 g/mol
LogP1.71
Rot. Bonds3

About N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide

N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 94176071) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID94176071
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
SMILESO=C(NC[C@H]1COc2ccccc2C1)c1cn2cccnc2n1
InChIInChI=1S/C17H16N4O2/c22-16(14-10-21-7-3-6-18-17(21)20-14)19-9-12-8-13-4-1-2-5-15(13)23-11-12/h1-7,10,12H,8-9,11H2,(H,19,22)/t12-/m0/s1
InChIKeyNXGMSGAKFFVWQY-LBPRGKRZSA-N
XLogP1.71
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide 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

N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-2-carboxamide
CID 99779688
N-(3,4-dihydro-2H-chromen-3-ylmethyl)pyrazine-2-carboxamide
CID 47115544
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 97111941
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 74237200
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 97284274
N-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 111460186
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 35422359
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-pyridin-2-ylsulfanylbenzamide
CID 51129710
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 72915757
N-[[(3R)-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 40918040
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 102556008
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-methylbenzamide
CID 51211932

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide (CID 94176071) is N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide is O=C(NC[C@H]1COc2ccccc2C1)c1cn2cccnc2n1.
What is the InChIKey of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is NXGMSGAKFFVWQY-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-16(14-10-21-7-3-6-18-17(21)20-14)19-9-12-8-13-4-1-2-5-15(13)23-11-12/h1-7,10,12H,8-9,11H2,(H,19,22)/t12-/m0/s1.
What are the key properties of N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide?
N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3,4-dihydro-2H-chromen-3-yl]methyl]imidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 94176071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).