2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine

C26H20ClF3N6 — CID 164881122

IUPAC2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(Cc2c[nH]c3cnc(-c4c(Cl)ccnc4C4CC4)nc23)cc1
InChIInChI=1S/C26H20ClF3N6/c1-36-13-20(26(28,29)30)34-25(36)16-4-2-14(3-5-16)10-17-11-32-19-12-33-24(35-22(17)19)21-18(27)8-9-31-23(21)15-6-7-15/h2-5,8-9,11-13,15,32H,6-7,10H2,1H3
InChIKeyAWQWDUUAVLNXPU-UHFFFAOYSA-N
MW508.94 g/mol
LogP6.56
Rot. Bonds5

About 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine

2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine (PubChem CID 164881122) has the molecular formula C26H20ClF3N6 and a molecular weight of 508.94 g/mol. Its IUPAC name is 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
PubChem CID164881122
Molecular FormulaC26H20ClF3N6
Molecular Weight508.94 g/mol
Exact Mass508.14
IUPAC Name2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(Cc2c[nH]c3cnc(-c4c(Cl)ccnc4C4CC4)nc23)cc1
InChIInChI=1S/C26H20ClF3N6/c1-36-13-20(26(28,29)30)34-25(36)16-4-2-14(3-5-16)10-17-11-32-19-12-33-24(35-22(17)19)21-18(27)8-9-31-23(21)15-6-7-15/h2-5,8-9,11-13,15,32H,6-7,10H2,1H3
InChIKeyAWQWDUUAVLNXPU-UHFFFAOYSA-N
XLogP6.56
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.94
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine (CID 164881122) is 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine is Cn1cc(C(F)(F)F)nc1-c1ccc(Cc2c[nH]c3cnc(-c4c(Cl)ccnc4C4CC4)nc23)cc1.
What is the InChIKey of 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine?
The InChIKey is AWQWDUUAVLNXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClF3N6/c1-36-13-20(26(28,29)30)34-25(36)16-4-2-14(3-5-16)10-17-11-32-19-12-33-24(35-22(17)19)21-18(27)8-9-31-23(21)15-6-7-15/h2-5,8-9,11-13,15,32H,6-7,10H2,1H3.
What are the key properties of 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine?
2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine has a molecular weight of 508.94 g/mol, XLogP of 6.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-cyclopropyl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 164881122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).