N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine

C16H16F3N5 — CID 99835539

IUPACN-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1ncc2cc(CNc3cc(C(F)(F)F)ccn3)cnc21
InChIInChI=1S/C16H16F3N5/c1-10(2)24-15-12(9-23-24)5-11(8-22-15)7-21-14-6-13(3-4-20-14)16(17,18)19/h3-6,8-10H,7H2,1-2H3,(H,20,21)
InChIKeyLGQBKLFOECUEOS-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.04
Rot. Bonds4

About N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine

N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 99835539) has the molecular formula C16H16F3N5 and a molecular weight of 335.33 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID99835539
Molecular FormulaC16H16F3N5
Molecular Weight335.33 g/mol
Exact Mass335.14
IUPAC NameN-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)n1ncc2cc(CNc3cc(C(F)(F)F)ccn3)cnc21
InChIInChI=1S/C16H16F3N5/c1-10(2)24-15-12(9-23-24)5-11(8-22-15)7-21-14-6-13(3-4-20-14)16(17,18)19/h3-6,8-10H,7H2,1-2H3,(H,20,21)
InChIKeyLGQBKLFOECUEOS-UHFFFAOYSA-N
XLogP4.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine (CID 99835539) is N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine is CC(C)n1ncc2cc(CNc3cc(C(F)(F)F)ccn3)cnc21.
What is the InChIKey of N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is LGQBKLFOECUEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N5/c1-10(2)24-15-12(9-23-24)5-11(8-22-15)7-21-14-6-13(3-4-20-14)16(17,18)19/h3-6,8-10H,7H2,1-2H3,(H,20,21).
What are the key properties of N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine?
N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 335.33 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 99835539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).