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N,N-diethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine

C20H27N5 — CID 143731812

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN,N-diethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine
SMILESCCN(CC)C1CCC(c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)CC1
InChIInChI=1S/C20H27N5/c1-3-25(4-2)17-7-5-14(6-8-17)15-9-18-19(16-11-23-24-12-16)13-22-20(18)21-10-15/h9-14,17H,3-8H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyDGOJJFHHFOJZKB-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.32
Rot. Bonds5

About N,N-diethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine

N,N-diethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine (PubChem CID 143731812) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is N,N-diethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine
PubChem CID143731812
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC NameN,N-diethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine
SMILESCCN(CC)C1CCC(c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)CC1
InChIInChI=1S/C20H27N5/c1-3-25(4-2)17-7-5-14(6-8-17)15-9-18-19(16-11-23-24-12-16)13-22-20(18)21-10-15/h9-14,17H,3-8H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyDGOJJFHHFOJZKB-UHFFFAOYSA-N
XLogP4.32
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine?
The IUPAC name of N,N-diethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine (CID 143731812) is N,N-diethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine.
What is the SMILES notation for N,N-diethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine?
The canonical SMILES for N,N-diethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine is CCN(CC)C1CCC(c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)CC1.
What is the InChIKey of N,N-diethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine?
The InChIKey is DGOJJFHHFOJZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-3-25(4-2)17-7-5-14(6-8-17)15-9-18-19(16-11-23-24-12-16)13-22-20(18)21-10-15/h9-14,17H,3-8H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of N,N-diethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine?
N,N-diethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine has a molecular weight of 337.47 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 143731812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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