N-[1-[2,2-difluoro-2-(6-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C19H22F2N6 — CID 118938568

IUPACN-[1-[2,2-difluoro-2-(6-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(C(F)(F)CN2CCC(Nc3ncnc4[nH]ccc34)CC2)cn1
InChIInChI=1S/C19H22F2N6/c1-13-2-3-14(10-23-13)19(20,21)11-27-8-5-15(6-9-27)26-18-16-4-7-22-17(16)24-12-25-18/h2-4,7,10,12,15H,5-6,8-9,11H2,1H3,(H2,22,24,25,26)
InChIKeyWFXULSHSKBXRPA-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.33
Rot. Bonds5

About N-[1-[2,2-difluoro-2-(6-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[1-[2,2-difluoro-2-(6-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 118938568) has the molecular formula C19H22F2N6 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-[1-[2,2-difluoro-2-(6-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[2,2-difluoro-2-(6-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID118938568
Molecular FormulaC19H22F2N6
Molecular Weight372.42 g/mol
Exact Mass372.19
IUPAC NameN-[1-[2,2-difluoro-2-(6-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(C(F)(F)CN2CCC(Nc3ncnc4[nH]ccc34)CC2)cn1
InChIInChI=1S/C19H22F2N6/c1-13-2-3-14(10-23-13)19(20,21)11-27-8-5-15(6-9-27)26-18-16-4-7-22-17(16)24-12-25-18/h2-4,7,10,12,15H,5-6,8-9,11H2,1H3,(H2,22,24,25,26)
InChIKeyWFXULSHSKBXRPA-UHFFFAOYSA-N
XLogP3.33
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2,2-difluoro-2-(6-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-[2,2-difluoro-2-(6-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 118938568) is N-[1-[2,2-difluoro-2-(6-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-[2,2-difluoro-2-(6-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-[2,2-difluoro-2-(6-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc(C(F)(F)CN2CCC(Nc3ncnc4[nH]ccc34)CC2)cn1.
What is the InChIKey of N-[1-[2,2-difluoro-2-(6-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is WFXULSHSKBXRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N6/c1-13-2-3-14(10-23-13)19(20,21)11-27-8-5-15(6-9-27)26-18-16-4-7-22-17(16)24-12-25-18/h2-4,7,10,12,15H,5-6,8-9,11H2,1H3,(H2,22,24,25,26).
What are the key properties of N-[1-[2,2-difluoro-2-(6-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[1-[2,2-difluoro-2-(6-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 372.42 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2,2-difluoro-2-(6-methyl-3-pyridinyl)ethyl]piperidin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 118938568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).