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

C18H18F2N4 — CID 53493914

IUPACN-(3,4-difluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESFc1ccc(Nc2ccc3c(C4CCNCC4)c[nH]c3n2)cc1F
InChIInChI=1S/C18H18F2N4/c19-15-3-1-12(9-16(15)20)23-17-4-2-13-14(10-22-18(13)24-17)11-5-7-21-8-6-11/h1-4,9-11,21H,5-8H2,(H2,22,23,24)
InChIKeyQRDLRCNFRXXGTE-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.05
Rot. Bonds3

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

N-(3,4-difluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 53493914) has the molecular formula C18H18F2N4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID53493914
Molecular FormulaC18H18F2N4
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-(3,4-difluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESFc1ccc(Nc2ccc3c(C4CCNCC4)c[nH]c3n2)cc1F
InChIInChI=1S/C18H18F2N4/c19-15-3-1-12(9-16(15)20)23-17-4-2-13-14(10-22-18(13)24-17)11-5-7-21-8-6-11/h1-4,9-11,21H,5-8H2,(H2,22,23,24)
InChIKeyQRDLRCNFRXXGTE-UHFFFAOYSA-N
XLogP4.05
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-(3,4-difluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 53493914) is N-(3,4-difluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is Fc1ccc(Nc2ccc3c(C4CCNCC4)c[nH]c3n2)cc1F.
What is the InChIKey of N-(3,4-difluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is QRDLRCNFRXXGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N4/c19-15-3-1-12(9-16(15)20)23-17-4-2-13-14(10-22-18(13)24-17)11-5-7-21-8-6-11/h1-4,9-11,21H,5-8H2,(H2,22,23,24).
What are the key properties of N-(3,4-difluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-(3,4-difluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 328.37 g/mol, XLogP of 4.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 53493914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).