N-(2-ethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine

C18H17N5O — CID 66548850

IUPACN-(2-ethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESCCOc1ccccc1Nc1cc2[nH]c(-c3cn[nH]c3)cc2cn1
InChIInChI=1S/C18H17N5O/c1-2-24-17-6-4-3-5-14(17)23-18-8-16-12(9-19-18)7-15(22-16)13-10-20-21-11-13/h3-11,22H,2H2,1H3,(H,19,23)(H,20,21)
InChIKeyBEUXYMIIIBPCKC-UHFFFAOYSA-N
MW319.37 g/mol
LogP4.10
Rot. Bonds5

About N-(2-ethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine

N-(2-ethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine (PubChem CID 66548850) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
PubChem CID66548850
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC NameN-(2-ethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
SMILESCCOc1ccccc1Nc1cc2[nH]c(-c3cn[nH]c3)cc2cn1
InChIInChI=1S/C18H17N5O/c1-2-24-17-6-4-3-5-14(17)23-18-8-16-12(9-19-18)7-15(22-16)13-10-20-21-11-13/h3-11,22H,2H2,1H3,(H,19,23)(H,20,21)
InChIKeyBEUXYMIIIBPCKC-UHFFFAOYSA-N
XLogP4.10
TPSA78.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
The IUPAC name of N-(2-ethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine (CID 66548850) is N-(2-ethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine is CCOc1ccccc1Nc1cc2[nH]c(-c3cn[nH]c3)cc2cn1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
The InChIKey is BEUXYMIIIBPCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-2-24-17-6-4-3-5-14(17)23-18-8-16-12(9-19-18)7-15(22-16)13-10-20-21-11-13/h3-11,22H,2H2,1H3,(H,19,23)(H,20,21).
What are the key properties of N-(2-ethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine?
N-(2-ethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine has a molecular weight of 319.37 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine is sourced from PubChem (CID 66548850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).