N-(pyridin-2-ylmethyl)-6-[(2R)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine

C17H17F3N6 — CID 95840644

IUPACN-(pyridin-2-ylmethyl)-6-[(2R)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESFC(F)(F)c1cc([C@H]2CCCN2)nc2[nH]nc(NCc3ccccn3)c12
InChIInChI=1S/C17H17F3N6/c18-17(19,20)11-8-13(12-5-3-7-22-12)24-16-14(11)15(25-26-16)23-9-10-4-1-2-6-21-10/h1-2,4,6,8,12,22H,3,5,7,9H2,(H2,23,24,25,26)/t12-/m1/s1
InChIKeyACPKCVCLSCPHII-GFCCVEGCSA-N
MW362.36 g/mol
LogP3.41
Rot. Bonds4

About N-(pyridin-2-ylmethyl)-6-[(2R)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine

N-(pyridin-2-ylmethyl)-6-[(2R)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 95840644) has the molecular formula C17H17F3N6 and a molecular weight of 362.36 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-6-[(2R)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-6-[(2R)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
PubChem CID95840644
Molecular FormulaC17H17F3N6
Molecular Weight362.36 g/mol
Exact Mass362.15
IUPAC NameN-(pyridin-2-ylmethyl)-6-[(2R)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESFC(F)(F)c1cc([C@H]2CCCN2)nc2[nH]nc(NCc3ccccn3)c12
InChIInChI=1S/C17H17F3N6/c18-17(19,20)11-8-13(12-5-3-7-22-12)24-16-14(11)15(25-26-16)23-9-10-4-1-2-6-21-10/h1-2,4,6,8,12,22H,3,5,7,9H2,(H2,23,24,25,26)/t12-/m1/s1
InChIKeyACPKCVCLSCPHII-GFCCVEGCSA-N
XLogP3.41
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-6-[(2R)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of N-(pyridin-2-ylmethyl)-6-[(2R)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine (CID 95840644) is N-(pyridin-2-ylmethyl)-6-[(2R)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-6-[(2R)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for N-(pyridin-2-ylmethyl)-6-[(2R)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine is FC(F)(F)c1cc([C@H]2CCCN2)nc2[nH]nc(NCc3ccccn3)c12.
What is the InChIKey of N-(pyridin-2-ylmethyl)-6-[(2R)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is ACPKCVCLSCPHII-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17F3N6/c18-17(19,20)11-8-13(12-5-3-7-22-12)24-16-14(11)15(25-26-16)23-9-10-4-1-2-6-21-10/h1-2,4,6,8,12,22H,3,5,7,9H2,(H2,23,24,25,26)/t12-/m1/s1.
What are the key properties of N-(pyridin-2-ylmethyl)-6-[(2R)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
N-(pyridin-2-ylmethyl)-6-[(2R)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 362.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-6-[(2R)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 95840644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).