1-N-[3-methoxy-4-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-N'-[(1R)-1-phenylethyl]ethene-1,1-diamine

C18H18F3N5O — CID 144599415

IUPAC1-N-[3-methoxy-4-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-N'-[(1R)-1-phenylethyl]ethene-1,1-diamine
SMILESC=C(Nc1cc2[nH]nc(OC)c2c(C(F)(F)F)n1)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H18F3N5O/c1-10(12-7-5-4-6-8-12)22-11(2)23-14-9-13-15(17(27-3)26-25-13)16(24-14)18(19,20)21/h4-10,22H,2H2,1,3H3,(H,23,24)(H,25,26)/t10-/m1/s1
InChIKeyHCROUVOLEUGPKY-SNVBAGLBSA-N
MW377.37 g/mol
LogP4.22
Rot. Bonds6

About 1-N-[3-methoxy-4-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-N'-[(1R)-1-phenylethyl]ethene-1,1-diamine

1-N-[3-methoxy-4-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-N'-[(1R)-1-phenylethyl]ethene-1,1-diamine (PubChem CID 144599415) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is 1-N-[3-methoxy-4-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-N'-[(1R)-1-phenylethyl]ethene-1,1-diamine.

Molecular Properties

Compound Name1-N-[3-methoxy-4-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-N'-[(1R)-1-phenylethyl]ethene-1,1-diamine
PubChem CID144599415
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC Name1-N-[3-methoxy-4-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-N'-[(1R)-1-phenylethyl]ethene-1,1-diamine
SMILESC=C(Nc1cc2[nH]nc(OC)c2c(C(F)(F)F)n1)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H18F3N5O/c1-10(12-7-5-4-6-8-12)22-11(2)23-14-9-13-15(17(27-3)26-25-13)16(24-14)18(19,20)21/h4-10,22H,2H2,1,3H3,(H,23,24)(H,25,26)/t10-/m1/s1
InChIKeyHCROUVOLEUGPKY-SNVBAGLBSA-N
XLogP4.22
TPSA74.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-[3-methoxy-4-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-N'-[(1R)-1-phenylethyl]ethene-1,1-diamine?
The IUPAC name of 1-N-[3-methoxy-4-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-N'-[(1R)-1-phenylethyl]ethene-1,1-diamine (CID 144599415) is 1-N-[3-methoxy-4-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-N'-[(1R)-1-phenylethyl]ethene-1,1-diamine.
What is the SMILES notation for 1-N-[3-methoxy-4-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-N'-[(1R)-1-phenylethyl]ethene-1,1-diamine?
The canonical SMILES for 1-N-[3-methoxy-4-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-N'-[(1R)-1-phenylethyl]ethene-1,1-diamine is C=C(Nc1cc2[nH]nc(OC)c2c(C(F)(F)F)n1)N[C@H](C)c1ccccc1.
What is the InChIKey of 1-N-[3-methoxy-4-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-N'-[(1R)-1-phenylethyl]ethene-1,1-diamine?
The InChIKey is HCROUVOLEUGPKY-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H18F3N5O/c1-10(12-7-5-4-6-8-12)22-11(2)23-14-9-13-15(17(27-3)26-25-13)16(24-14)18(19,20)21/h4-10,22H,2H2,1,3H3,(H,23,24)(H,25,26)/t10-/m1/s1.
What are the key properties of 1-N-[3-methoxy-4-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-N'-[(1R)-1-phenylethyl]ethene-1,1-diamine?
1-N-[3-methoxy-4-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-N'-[(1R)-1-phenylethyl]ethene-1,1-diamine has a molecular weight of 377.37 g/mol, XLogP of 4.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-methoxy-4-(trifluoromethyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-1-N'-[(1R)-1-phenylethyl]ethene-1,1-diamine is sourced from PubChem (CID 144599415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).