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

C22H28F5N5O — CID 166822356

IUPACN-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-4,4,4-trifluoro-3-methylbutanamide
SMILESCC(CC(=O)N[C@@H](c1ccn2cc([C@@H](N)C3CCC(F)(F)CC3)nc2n1)C1CC1)C(F)(F)F
InChIInChI=1S/C22H28F5N5O/c1-12(22(25,26)27)10-17(33)31-19(14-2-3-14)15-6-9-32-11-16(30-20(32)29-15)18(28)13-4-7-21(23,24)8-5-13/h6,9,11-14,18-19H,2-5,7-8,10,28H2,1H3,(H,31,33)/t12?,18-,19+/m0/s1
InChIKeyCBTYLEJYRIRQQM-FVHARNBYSA-N
MW473.49 g/mol
LogP4.71
Rot. Bonds7

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

N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-4,4,4-trifluoro-3-methylbutanamide (PubChem CID 166822356) has the molecular formula C22H28F5N5O and a molecular weight of 473.49 g/mol. Its IUPAC name is N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-4,4,4-trifluoro-3-methylbutanamide.

Molecular Properties

Compound NameN-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-4,4,4-trifluoro-3-methylbutanamide
PubChem CID166822356
Molecular FormulaC22H28F5N5O
Molecular Weight473.49 g/mol
Exact Mass473.22
IUPAC NameN-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-4,4,4-trifluoro-3-methylbutanamide
SMILESCC(CC(=O)N[C@@H](c1ccn2cc([C@@H](N)C3CCC(F)(F)CC3)nc2n1)C1CC1)C(F)(F)F
InChIInChI=1S/C22H28F5N5O/c1-12(22(25,26)27)10-17(33)31-19(14-2-3-14)15-6-9-32-11-16(30-20(32)29-15)18(28)13-4-7-21(23,24)8-5-13/h6,9,11-14,18-19H,2-5,7-8,10,28H2,1H3,(H,31,33)/t12?,18-,19+/m0/s1
InChIKeyCBTYLEJYRIRQQM-FVHARNBYSA-N
XLogP4.71
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 54.71
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]-4,4,4-trifluoro-3-methylbutanamide with MolForge

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Related Compounds

2-ethyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide
CID 16009114
2-ethyl-N-(3-(imidazo[1,2-a]pyrimidin-2-yl)phenyl)butanamide
CID 7080150
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-methylbutanamide
CID 20868682
2-ethyl-N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)butanamide
CID 7080305
N-(3-(imidazo[1,2-a]pyrimidin-2-yl)phenyl)-3-methylbutanamide
CID 7080149
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-isopropyl-4-piperidinecarboxamide
CID 72854333
1-(cyclopropylcarbonyl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-piperidinecarboxamide
CID 72872965
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72895405
2-(1-ethyl-4-piperidinyl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)acetamide
CID 72928221
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

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]-4,4,4-trifluoro-3-methylbutanamide?
The IUPAC name of N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-4,4,4-trifluoro-3-methylbutanamide (CID 166822356) is N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-4,4,4-trifluoro-3-methylbutanamide.
What is the SMILES notation for N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-4,4,4-trifluoro-3-methylbutanamide?
The canonical SMILES for N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-4,4,4-trifluoro-3-methylbutanamide is CC(CC(=O)N[C@@H](c1ccn2cc([C@@H](N)C3CCC(F)(F)CC3)nc2n1)C1CC1)C(F)(F)F.
What is the InChIKey of N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-4,4,4-trifluoro-3-methylbutanamide?
The InChIKey is CBTYLEJYRIRQQM-FVHARNBYSA-N. The full InChI is InChI=1S/C22H28F5N5O/c1-12(22(25,26)27)10-17(33)31-19(14-2-3-14)15-6-9-32-11-16(30-20(32)29-15)18(28)13-4-7-21(23,24)8-5-13/h6,9,11-14,18-19H,2-5,7-8,10,28H2,1H3,(H,31,33)/t12?,18-,19+/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]-4,4,4-trifluoro-3-methylbutanamide?
N-[(R)-[2-[(S)-amino-(4,4-difluorocyclohexyl)methyl]imidazo[1,2-a]pyrimidin-7-yl]-cyclopropylmethyl]-4,4,4-trifluoro-3-methylbutanamide has a molecular weight of 473.49 g/mol, XLogP of 4.71, 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]-4,4,4-trifluoro-3-methylbutanamide is sourced from PubChem (CID 166822356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).