N-cyclopropyl-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C21H27F3N6O — CID 126890885

About N-cyclopropyl-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N-cyclopropyl-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126890885) has the molecular formula C21H27F3N6O and a molecular weight of 436.48 g/mol. Its IUPAC name is N-cyclopropyl-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
• PubChem CID: 126890885
• Molecular Formula: C21H27F3N6O
• Molecular Weight: 436.48 g/mol
• Exact Mass: 436.22
• IUPAC Name: N-cyclopropyl-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
• SMILES: Cn1ncc2c1CCOC2CN1CCC(N(c2cc(C(F)(F)F)ncn2)C2CC2)CC1
• InChI: InChI=1S/C21H27F3N6O/c1-28-17-6-9-31-18(16(17)11-27-28)12-29-7-4-15(5-8-29)30(14-2-3-14)20-10-19(21(22,23)24)25-13-26-20/h10-11,13-15,18H,2-9,12H2,1H3
• InChIKey: RQGBXVHWRUAYME-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 59.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.48
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?

The IUPAC name of N-cyclopropyl-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126890885) is N-cyclopropyl-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

What is the SMILES notation for N-cyclopropyl-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?

The canonical SMILES for N-cyclopropyl-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is Cn1ncc2c1CCOC2CN1CCC(N(c2cc(C(F)(F)F)ncn2)C2CC2)CC1.

What is the InChIKey of N-cyclopropyl-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?

The InChIKey is RQGBXVHWRUAYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27F3N6O/c1-28-17-6-9-31-18(16(17)11-27-28)12-29-7-4-15(5-8-29)30(14-2-3-14)20-10-19(21(22,23)24)25-13-26-20/h10-11,13-15,18H,2-9,12H2,1H3.

What are the key properties of N-cyclopropyl-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?

N-cyclopropyl-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 436.48 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126890885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).