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

C18H23F3N6O — CID 126889720

IUPACN-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCn1ncc2c1CCOC2CN1CCC(Nc2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H23F3N6O/c1-26-14-4-7-28-15(13(14)9-24-26)10-27-5-2-12(3-6-27)25-17-8-16(18(19,20)21)22-11-23-17/h8-9,11-12,15H,2-7,10H2,1H3,(H,22,23,25)
InChIKeyNQGBTEYSJYPAIN-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.42
Rot. Bonds4

About 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-[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 126889720) has the molecular formula C18H23F3N6O and a molecular weight of 396.42 g/mol. Its IUPAC name is 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 NameN-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126889720
Molecular FormulaC18H23F3N6O
Molecular Weight396.42 g/mol
Exact Mass396.19
IUPAC NameN-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCn1ncc2c1CCOC2CN1CCC(Nc2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C18H23F3N6O/c1-26-14-4-7-28-15(13(14)9-24-26)10-27-5-2-12(3-6-27)25-17-8-16(18(19,20)21)22-11-23-17/h8-9,11-12,15H,2-7,10H2,1H3,(H,22,23,25)
InChIKeyNQGBTEYSJYPAIN-UHFFFAOYSA-N
XLogP2.42
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 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-[1-[(1-methyl-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126889720) is 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-[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-[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(Nc2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 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 NQGBTEYSJYPAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N6O/c1-26-14-4-7-28-15(13(14)9-24-26)10-27-5-2-12(3-6-27)25-17-8-16(18(19,20)21)22-11-23-17/h8-9,11-12,15H,2-7,10H2,1H3,(H,22,23,25).
What are the key properties of 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-[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 396.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 126889720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).