N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]indol-2-yl]pyridin-2-amine

C23H27N5 — CID 166629140

IUPACN,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]indol-2-yl]pyridin-2-amine
SMILESCCN(CC)c1ccc(-c2cc3ccccc3n2Cc2ccn(CC)n2)cn1
InChIInChI=1S/C23H27N5/c1-4-26(5-2)23-12-11-19(16-24-23)22-15-18-9-7-8-10-21(18)28(22)17-20-13-14-27(6-3)25-20/h7-16H,4-6,17H2,1-3H3
InChIKeyRNEODKTUIOPJMZ-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.81
Rot. Bonds7

About N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]indol-2-yl]pyridin-2-amine

N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]indol-2-yl]pyridin-2-amine (PubChem CID 166629140) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]indol-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]indol-2-yl]pyridin-2-amine
PubChem CID166629140
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC NameN,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]indol-2-yl]pyridin-2-amine
SMILESCCN(CC)c1ccc(-c2cc3ccccc3n2Cc2ccn(CC)n2)cn1
InChIInChI=1S/C23H27N5/c1-4-26(5-2)23-12-11-19(16-24-23)22-15-18-9-7-8-10-21(18)28(22)17-20-13-14-27(6-3)25-20/h7-16H,4-6,17H2,1-3H3
InChIKeyRNEODKTUIOPJMZ-UHFFFAOYSA-N
XLogP4.81
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]indol-2-yl]pyridin-2-amine?
The IUPAC name of N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]indol-2-yl]pyridin-2-amine (CID 166629140) is N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]indol-2-yl]pyridin-2-amine.
What is the SMILES notation for N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]indol-2-yl]pyridin-2-amine?
The canonical SMILES for N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]indol-2-yl]pyridin-2-amine is CCN(CC)c1ccc(-c2cc3ccccc3n2Cc2ccn(CC)n2)cn1.
What is the InChIKey of N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]indol-2-yl]pyridin-2-amine?
The InChIKey is RNEODKTUIOPJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5/c1-4-26(5-2)23-12-11-19(16-24-23)22-15-18-9-7-8-10-21(18)28(22)17-20-13-14-27(6-3)25-20/h7-16H,4-6,17H2,1-3H3.
What are the key properties of N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]indol-2-yl]pyridin-2-amine?
N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]indol-2-yl]pyridin-2-amine has a molecular weight of 373.50 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]indol-2-yl]pyridin-2-amine is sourced from PubChem (CID 166629140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).