(1R)-N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[5-[(R)-(3-fluoro-2-pyridinyl)-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]methyl]pyrimidin-2-yl]ethanamine

C27H26F4N8O — CID 163383117

IUPAC(1R)-N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[5-[(R)-(3-fluoro-2-pyridinyl)-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]methyl]pyrimidin-2-yl]ethanamine
SMILESC[C@@H](NCc1cc2c(cn1)OCCC2)c1ncc([C@@H](NCc2ccc(C(F)(F)F)nn2)c2ncccc2F)cn1
InChIInChI=1S/C27H26F4N8O/c1-16(33-14-20-10-17-4-3-9-40-22(17)15-34-20)26-36-11-18(12-37-26)24(25-21(28)5-2-8-32-25)35-13-19-6-7-23(39-38-19)27(29,30)31/h2,5-8,10-12,15-16,24,33,35H,3-4,9,13-14H2,1H3/t16-,24-/m1/s1
InChIKeyCGDKKMAICXNDOF-VOIUYBSRSA-N
MW554.55 g/mol
LogP4.27
Rot. Bonds9

About (1R)-N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[5-[(R)-(3-fluoro-2-pyridinyl)-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]methyl]pyrimidin-2-yl]ethanamine

(1R)-N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[5-[(R)-(3-fluoro-2-pyridinyl)-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]methyl]pyrimidin-2-yl]ethanamine (PubChem CID 163383117) has the molecular formula C27H26F4N8O and a molecular weight of 554.55 g/mol. Its IUPAC name is (1R)-N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[5-[(R)-(3-fluoro-2-pyridinyl)-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]methyl]pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name(1R)-N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[5-[(R)-(3-fluoro-2-pyridinyl)-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]methyl]pyrimidin-2-yl]ethanamine
PubChem CID163383117
Molecular FormulaC27H26F4N8O
Molecular Weight554.55 g/mol
Exact Mass554.22
IUPAC Name(1R)-N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[5-[(R)-(3-fluoro-2-pyridinyl)-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]methyl]pyrimidin-2-yl]ethanamine
SMILESC[C@@H](NCc1cc2c(cn1)OCCC2)c1ncc([C@@H](NCc2ccc(C(F)(F)F)nn2)c2ncccc2F)cn1
InChIInChI=1S/C27H26F4N8O/c1-16(33-14-20-10-17-4-3-9-40-22(17)15-34-20)26-36-11-18(12-37-26)24(25-21(28)5-2-8-32-25)35-13-19-6-7-23(39-38-19)27(29,30)31/h2,5-8,10-12,15-16,24,33,35H,3-4,9,13-14H2,1H3/t16-,24-/m1/s1
InChIKeyCGDKKMAICXNDOF-VOIUYBSRSA-N
XLogP4.27
TPSA110.63 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500554.55
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (1R)-N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[5-[(R)-(3-fluoro-2-pyridinyl)-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]methyl]pyrimidin-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[5-[(R)-(3-fluoro-2-pyridinyl)-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]methyl]pyrimidin-2-yl]ethanamine?
The IUPAC name of (1R)-N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[5-[(R)-(3-fluoro-2-pyridinyl)-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]methyl]pyrimidin-2-yl]ethanamine (CID 163383117) is (1R)-N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[5-[(R)-(3-fluoro-2-pyridinyl)-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]methyl]pyrimidin-2-yl]ethanamine.
What is the SMILES notation for (1R)-N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[5-[(R)-(3-fluoro-2-pyridinyl)-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]methyl]pyrimidin-2-yl]ethanamine?
The canonical SMILES for (1R)-N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[5-[(R)-(3-fluoro-2-pyridinyl)-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]methyl]pyrimidin-2-yl]ethanamine is C[C@@H](NCc1cc2c(cn1)OCCC2)c1ncc([C@@H](NCc2ccc(C(F)(F)F)nn2)c2ncccc2F)cn1.
What is the InChIKey of (1R)-N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[5-[(R)-(3-fluoro-2-pyridinyl)-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]methyl]pyrimidin-2-yl]ethanamine?
The InChIKey is CGDKKMAICXNDOF-VOIUYBSRSA-N. The full InChI is InChI=1S/C27H26F4N8O/c1-16(33-14-20-10-17-4-3-9-40-22(17)15-34-20)26-36-11-18(12-37-26)24(25-21(28)5-2-8-32-25)35-13-19-6-7-23(39-38-19)27(29,30)31/h2,5-8,10-12,15-16,24,33,35H,3-4,9,13-14H2,1H3/t16-,24-/m1/s1.
What are the key properties of (1R)-N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[5-[(R)-(3-fluoro-2-pyridinyl)-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]methyl]pyrimidin-2-yl]ethanamine?
(1R)-N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[5-[(R)-(3-fluoro-2-pyridinyl)-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]methyl]pyrimidin-2-yl]ethanamine has a molecular weight of 554.55 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(3,4-dihydro-2H-pyrano[2,3-c]pyridin-6-ylmethyl)-1-[5-[(R)-(3-fluoro-2-pyridinyl)-[[6-(trifluoromethyl)pyridazin-3-yl]methylamino]methyl]pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 163383117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).