N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide

C23H29F4N5O — CID 163996203

IUPACN-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESN[C@H](c1cn2ccc([C@H](NC(=O)CC3CC(F)(F)C3)C3CC3)nc2n1)C1CCC(F)(F)CC1
InChIInChI=1S/C23H29F4N5O/c24-22(25)6-3-14(4-7-22)19(28)17-12-32-8-5-16(29-21(32)30-17)20(15-1-2-15)31-18(33)9-13-10-23(26,27)11-13/h5,8,12-15,19-20H,1-4,6-7,9-11,28H2,(H,31,33)/t19-,20+/m0/s1
InChIKeyUEXIPNWQDZWFIR-VQTJNVASSA-N
MW467.51 g/mol
LogP4.56
Rot. Bonds7

About N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide

N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide (PubChem CID 163996203) has the molecular formula C23H29F4N5O and a molecular weight of 467.51 g/mol. Its IUPAC name is N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide.

Molecular Properties

Compound NameN-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide
PubChem CID163996203
Molecular FormulaC23H29F4N5O
Molecular Weight467.51 g/mol
Exact Mass467.23
IUPAC NameN-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide
SMILESN[C@H](c1cn2ccc([C@H](NC(=O)CC3CC(F)(F)C3)C3CC3)nc2n1)C1CCC(F)(F)CC1
InChIInChI=1S/C23H29F4N5O/c24-22(25)6-3-14(4-7-22)19(28)17-12-32-8-5-16(29-21(32)30-17)20(15-1-2-15)31-18(33)9-13-10-23(26,27)11-13/h5,8,12-15,19-20H,1-4,6-7,9-11,28H2,(H,31,33)/t19-,20+/m0/s1
InChIKeyUEXIPNWQDZWFIR-VQTJNVASSA-N
XLogP4.56
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide 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

1-[4-[5-(Trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]ethanone
CID 95826729
1-[4-[7-(Trifluoromethyl)imidazo[1,2-a]pyrimidin-5-yl]piperidin-1-yl]ethanone
CID 95828270
2-[4-[5-(Trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl]piperidin-1-yl]acetamide
CID 110090226
Cyclopentyl-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 118740278
US20250019369, Example 3
CID 169708326
2-imidazo[1,2-a]pyridin-5-yl-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 125473849
2-(8,8a-dihydropyrrolo[1,2-a]pyrimidin-8-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 131998014
2-ethyl-N-[3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]butanamide
CID 135371892
N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[(1R)-3-(trifluoromethyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 143237266
N-[(2-imidazol-1-yl-6-methylpyrimidin-4-yl)methyl]-1-[[4-(trifluoromethyl)cyclohexen-1-yl]methyl]pyrrolidine-2-carboxamide
CID 143237361
N-[(R)-cyclopropyl-[2-[(4,4-difluorocyclohexyl)methyl]imidazo[1,2-b]pyridazin-7-yl]methyl]-2-(3,3-difluorocyclobutyl)acetamide
CID 157031854
N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(3,3-difluorocyclohexyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide
CID 159924588

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide?
The IUPAC name of N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide (CID 163996203) is N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide.
What is the SMILES notation for N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide?
The canonical SMILES for N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide is N[C@H](c1cn2ccc([C@H](NC(=O)CC3CC(F)(F)C3)C3CC3)nc2n1)C1CCC(F)(F)CC1.
What is the InChIKey of N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide?
The InChIKey is UEXIPNWQDZWFIR-VQTJNVASSA-N. The full InChI is InChI=1S/C23H29F4N5O/c24-22(25)6-3-14(4-7-22)19(28)17-12-32-8-5-16(29-21(32)30-17)20(15-1-2-15)31-18(33)9-13-10-23(26,27)11-13/h5,8,12-15,19-20H,1-4,6-7,9-11,28H2,(H,31,33)/t19-,20+/m0/s1.
What are the key properties of N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide?
N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide has a molecular weight of 467.51 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-2-(3,3-difluorocyclobutyl)acetamide is sourced from PubChem (CID 163996203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).