4-N-[1-(2,3-dihydro-1H-inden-1-yl)-7H-pyrazolo[5,4-c]pyridin-6-yl]benzene-1,4-diamine

C21H21N5 — CID 68881221

IUPAC4-N-[1-(2,3-dihydro-1H-inden-1-yl)-7H-pyrazolo[5,4-c]pyridin-6-yl]benzene-1,4-diamine
SMILESNc1ccc(NN2C=Cc3cnn(C4CCc5ccccc54)c3C2)cc1
InChIInChI=1S/C21H21N5/c22-17-6-8-18(9-7-17)24-25-12-11-16-13-23-26(21(16)14-25)20-10-5-15-3-1-2-4-19(15)20/h1-4,6-9,11-13,20,24H,5,10,14,22H2
InChIKeyNNIREWIUXUSYGH-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.81
Rot. Bonds3

About 4-N-[1-(2,3-dihydro-1H-inden-1-yl)-7H-pyrazolo[5,4-c]pyridin-6-yl]benzene-1,4-diamine

4-N-[1-(2,3-dihydro-1H-inden-1-yl)-7H-pyrazolo[5,4-c]pyridin-6-yl]benzene-1,4-diamine (PubChem CID 68881221) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-N-[1-(2,3-dihydro-1H-inden-1-yl)-7H-pyrazolo[5,4-c]pyridin-6-yl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(2,3-dihydro-1H-inden-1-yl)-7H-pyrazolo[5,4-c]pyridin-6-yl]benzene-1,4-diamine
PubChem CID68881221
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC Name4-N-[1-(2,3-dihydro-1H-inden-1-yl)-7H-pyrazolo[5,4-c]pyridin-6-yl]benzene-1,4-diamine
SMILESNc1ccc(NN2C=Cc3cnn(C4CCc5ccccc54)c3C2)cc1
InChIInChI=1S/C21H21N5/c22-17-6-8-18(9-7-17)24-25-12-11-16-13-23-26(21(16)14-25)20-10-5-15-3-1-2-4-19(15)20/h1-4,6-9,11-13,20,24H,5,10,14,22H2
InChIKeyNNIREWIUXUSYGH-UHFFFAOYSA-N
XLogP3.81
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(2,3-dihydro-1H-inden-1-yl)-7H-pyrazolo[5,4-c]pyridin-6-yl]benzene-1,4-diamine?
The IUPAC name of 4-N-[1-(2,3-dihydro-1H-inden-1-yl)-7H-pyrazolo[5,4-c]pyridin-6-yl]benzene-1,4-diamine (CID 68881221) is 4-N-[1-(2,3-dihydro-1H-inden-1-yl)-7H-pyrazolo[5,4-c]pyridin-6-yl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-[1-(2,3-dihydro-1H-inden-1-yl)-7H-pyrazolo[5,4-c]pyridin-6-yl]benzene-1,4-diamine?
The canonical SMILES for 4-N-[1-(2,3-dihydro-1H-inden-1-yl)-7H-pyrazolo[5,4-c]pyridin-6-yl]benzene-1,4-diamine is Nc1ccc(NN2C=Cc3cnn(C4CCc5ccccc54)c3C2)cc1.
What is the InChIKey of 4-N-[1-(2,3-dihydro-1H-inden-1-yl)-7H-pyrazolo[5,4-c]pyridin-6-yl]benzene-1,4-diamine?
The InChIKey is NNIREWIUXUSYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c22-17-6-8-18(9-7-17)24-25-12-11-16-13-23-26(21(16)14-25)20-10-5-15-3-1-2-4-19(15)20/h1-4,6-9,11-13,20,24H,5,10,14,22H2.
What are the key properties of 4-N-[1-(2,3-dihydro-1H-inden-1-yl)-7H-pyrazolo[5,4-c]pyridin-6-yl]benzene-1,4-diamine?
4-N-[1-(2,3-dihydro-1H-inden-1-yl)-7H-pyrazolo[5,4-c]pyridin-6-yl]benzene-1,4-diamine has a molecular weight of 343.43 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(2,3-dihydro-1H-inden-1-yl)-7H-pyrazolo[5,4-c]pyridin-6-yl]benzene-1,4-diamine is sourced from PubChem (CID 68881221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).