5-cyclopropyl-N-[(3R,4R)-4-methoxypyrrolidin-3-yl]-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidin-4-amine

C23H22F3N7O — CID 155259532

About 5-cyclopropyl-N-[(3R,4R)-4-methoxypyrrolidin-3-yl]-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidin-4-amine

5-cyclopropyl-N-[(3R,4R)-4-methoxypyrrolidin-3-yl]-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 155259532) has the molecular formula C23H22F3N7O and a molecular weight of 469.47 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(3R,4R)-4-methoxypyrrolidin-3-yl]-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[(3R,4R)-4-methoxypyrrolidin-3-yl]-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidin-4-amine
• PubChem CID: 155259532
• Molecular Formula: C23H22F3N7O
• Molecular Weight: 469.47 g/mol
• Exact Mass: 469.18
• IUPAC Name: 5-cyclopropyl-N-[(3R,4R)-4-methoxypyrrolidin-3-yl]-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidin-4-amine
• SMILES: CO[C@@H]1CNC[C@H]1Nc1nc(-c2ccnc3[nH]c(C(F)(F)F)cc23)nc2cncc(C3CC3)c12
• InChI: InChI=1S/C23H22F3N7O/c1-34-17-10-28-8-15(17)30-22-19-14(11-2-3-11)7-27-9-16(19)31-21(33-22)12-4-5-29-20-13(12)6-18(32-20)23(24,25)26/h4-7,9,11,15,17,28H,2-3,8,10H2,1H3,(H,29,32)(H,30,31,33)/t15-,17-/m1/s1
• InChIKey: NQTDOFBFGGZIDJ-NVXWUHKLSA-N
• XLogP: 3.86
• TPSA: 100.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.47
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(3R,4R)-4-methoxypyrrolidin-3-yl]-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidin-4-amine?

The IUPAC name of 5-cyclopropyl-N-[(3R,4R)-4-methoxypyrrolidin-3-yl]-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidin-4-amine (CID 155259532) is 5-cyclopropyl-N-[(3R,4R)-4-methoxypyrrolidin-3-yl]-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 5-cyclopropyl-N-[(3R,4R)-4-methoxypyrrolidin-3-yl]-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 5-cyclopropyl-N-[(3R,4R)-4-methoxypyrrolidin-3-yl]-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidin-4-amine is CO[C@@H]1CNC[C@H]1Nc1nc(-c2ccnc3[nH]c(C(F)(F)F)cc23)nc2cncc(C3CC3)c12.

What is the InChIKey of 5-cyclopropyl-N-[(3R,4R)-4-methoxypyrrolidin-3-yl]-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidin-4-amine?

The InChIKey is NQTDOFBFGGZIDJ-NVXWUHKLSA-N. The full InChI is InChI=1S/C23H22F3N7O/c1-34-17-10-28-8-15(17)30-22-19-14(11-2-3-11)7-27-9-16(19)31-21(33-22)12-4-5-29-20-13(12)6-18(32-20)23(24,25)26/h4-7,9,11,15,17,28H,2-3,8,10H2,1H3,(H,29,32)(H,30,31,33)/t15-,17-/m1/s1.

What are the key properties of 5-cyclopropyl-N-[(3R,4R)-4-methoxypyrrolidin-3-yl]-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidin-4-amine?

5-cyclopropyl-N-[(3R,4R)-4-methoxypyrrolidin-3-yl]-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 469.47 g/mol, XLogP of 3.86, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[(3R,4R)-4-methoxypyrrolidin-3-yl]-2-[2-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 155259532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).