4-cyclopropyl-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C18H18F3N7 — CID 135374437

IUPAC4-cyclopropyl-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nn([C@@H]2CCn3ccnc32)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C18H18F3N7/c1-10-13(9-28(26-10)14-4-6-27-7-5-22-16(14)27)24-17-23-8-12(18(19,20)21)15(25-17)11-2-3-11/h5,7-9,11,14H,2-4,6H2,1H3,(H,23,24,25)/t14-/m1/s1
InChIKeyKLUQDKKXBQUDIG-CQSZACIVSA-N
MW389.39 g/mol
LogP3.81
Rot. Bonds4

About 4-cyclopropyl-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine

4-cyclopropyl-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 135374437) has the molecular formula C18H18F3N7 and a molecular weight of 389.39 g/mol. Its IUPAC name is 4-cyclopropyl-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID135374437
Molecular FormulaC18H18F3N7
Molecular Weight389.39 g/mol
Exact Mass389.16
IUPAC Name4-cyclopropyl-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1nn([C@@H]2CCn3ccnc32)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C18H18F3N7/c1-10-13(9-28(26-10)14-4-6-27-7-5-22-16(14)27)24-17-23-8-12(18(19,20)21)15(25-17)11-2-3-11/h5,7-9,11,14H,2-4,6H2,1H3,(H,23,24,25)/t14-/m1/s1
InChIKeyKLUQDKKXBQUDIG-CQSZACIVSA-N
XLogP3.81
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-cyclopropyl-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine with MolForge

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Related Compounds

N2-(3-(2-(2H-1,2,3-Triazol-2-yl)propan-2-yl)-1-cyclopropyl-1H-pyrazol-5-yl)-N4-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 132232498
4-N-ethyl-2-N-[3-methyl-1-[2-(2-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69092410
2-N-(5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72201490
4-N-ethyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 69093259
US9932325, Example 15
CID 69281631
4-N-methyl-2-N-[5-methyl-1-[2-(1-methylpyrazol-3-yl)propyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190898
4-N-methyl-2-N-[5-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72191208
4-N-methyl-2-N-[3-methyl-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72191509
US9932325, Example 105
CID 132232427
US9932325, Example 97
CID 132232436
US9932325, Example 8
CID 132244603
US9932325, Example 50
CID 132244633

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 135374437) is 4-cyclopropyl-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine is Cc1nn([C@@H]2CCn3ccnc32)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is KLUQDKKXBQUDIG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18F3N7/c1-10-13(9-28(26-10)14-4-6-27-7-5-22-16(14)27)24-17-23-8-12(18(19,20)21)15(25-17)11-2-3-11/h5,7-9,11,14H,2-4,6H2,1H3,(H,23,24,25)/t14-/m1/s1.
What are the key properties of 4-cyclopropyl-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
4-cyclopropyl-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 389.39 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[1-[(7R)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]-3-methylpyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 135374437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).