N-[1-[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C18H19ClF2N6 — CID 118938577

IUPACN-[1-[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFC(F)(CN1CCC(Nc2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cn1
InChIInChI=1S/C18H19ClF2N6/c19-12-1-2-15(23-9-12)18(20,21)10-27-7-4-13(5-8-27)26-17-14-3-6-22-16(14)24-11-25-17/h1-3,6,9,11,13H,4-5,7-8,10H2,(H2,22,24,25,26)
InChIKeyQOTIEMUIZUBYME-UHFFFAOYSA-N
MW392.84 g/mol
LogP3.67
Rot. Bonds5

About N-[1-[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[1-[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 118938577) has the molecular formula C18H19ClF2N6 and a molecular weight of 392.84 g/mol. Its IUPAC name is N-[1-[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID118938577
Molecular FormulaC18H19ClF2N6
Molecular Weight392.84 g/mol
Exact Mass392.13
IUPAC NameN-[1-[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFC(F)(CN1CCC(Nc2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cn1
InChIInChI=1S/C18H19ClF2N6/c19-12-1-2-15(23-9-12)18(20,21)10-27-7-4-13(5-8-27)26-17-14-3-6-22-16(14)24-11-25-17/h1-3,6,9,11,13H,4-5,7-8,10H2,(H2,22,24,25,26)
InChIKeyQOTIEMUIZUBYME-UHFFFAOYSA-N
XLogP3.67
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine 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 N-[1-[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 118938577) is N-[1-[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is FC(F)(CN1CCC(Nc2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cn1.
What is the InChIKey of N-[1-[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QOTIEMUIZUBYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClF2N6/c19-12-1-2-15(23-9-12)18(20,21)10-27-7-4-13(5-8-27)26-17-14-3-6-22-16(14)24-11-25-17/h1-3,6,9,11,13H,4-5,7-8,10H2,(H2,22,24,25,26).
What are the key properties of N-[1-[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[1-[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 392.84 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(5-chloro-2-pyridinyl)-2,2-difluoroethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118938577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).