N-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

C18H18F3N5 — CID 56883354

IUPACN-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESFC(F)(F)c1ccc(-c2cc(NC3CCNCC3)nc3[nH]ccc23)nc1
InChIInChI=1S/C18H18F3N5/c19-18(20,21)11-1-2-15(24-10-11)14-9-16(25-12-3-6-22-7-4-12)26-17-13(14)5-8-23-17/h1-2,5,8-10,12,22H,3-4,6-7H2,(H2,23,25,26)
InChIKeyGUKNBMQTPHGWLY-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.81
Rot. Bonds3

About N-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine

N-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56883354) has the molecular formula C18H18F3N5 and a molecular weight of 361.37 g/mol. Its IUPAC name is N-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56883354
Molecular FormulaC18H18F3N5
Molecular Weight361.37 g/mol
Exact Mass361.15
IUPAC NameN-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESFC(F)(F)c1ccc(-c2cc(NC3CCNCC3)nc3[nH]ccc23)nc1
InChIInChI=1S/C18H18F3N5/c19-18(20,21)11-1-2-15(24-10-11)14-9-16(25-12-3-6-22-7-4-12)26-17-13(14)5-8-23-17/h1-2,5,8-10,12,22H,3-4,6-7H2,(H2,23,25,26)
InChIKeyGUKNBMQTPHGWLY-UHFFFAOYSA-N
XLogP3.81
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56883354) is N-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is FC(F)(F)c1ccc(-c2cc(NC3CCNCC3)nc3[nH]ccc23)nc1.
What is the InChIKey of N-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is GUKNBMQTPHGWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5/c19-18(20,21)11-1-2-15(24-10-11)14-9-16(25-12-3-6-22-7-4-12)26-17-13(14)5-8-23-17/h1-2,5,8-10,12,22H,3-4,6-7H2,(H2,23,25,26).
What are the key properties of N-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 361.37 g/mol, XLogP of 3.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-4-[5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56883354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).