4-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,4-diamine

C26H28N6 — CID 139987328

IUPAC4-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,4-diamine
SMILESCN(C)CCNc1cc(NCc2ccc(-c3n[nH]c4c3Cc3ccccc3-4)cc2)ccn1
InChIInChI=1S/C26H28N6/c1-32(2)14-13-28-24-16-21(11-12-27-24)29-17-18-7-9-19(10-8-18)25-23-15-20-5-3-4-6-22(20)26(23)31-30-25/h3-12,16H,13-15,17H2,1-2H3,(H,30,31)(H2,27,28,29)
InChIKeyGWDDDPNACKPFJN-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.63
Rot. Bonds8

About 4-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,4-diamine

4-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,4-diamine (PubChem CID 139987328) has the molecular formula C26H28N6 and a molecular weight of 424.55 g/mol. Its IUPAC name is 4-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,4-diamine
PubChem CID139987328
Molecular FormulaC26H28N6
Molecular Weight424.55 g/mol
Exact Mass424.24
IUPAC Name4-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,4-diamine
SMILESCN(C)CCNc1cc(NCc2ccc(-c3n[nH]c4c3Cc3ccccc3-4)cc2)ccn1
InChIInChI=1S/C26H28N6/c1-32(2)14-13-28-24-16-21(11-12-27-24)29-17-18-7-9-19(10-8-18)25-23-15-20-5-3-4-6-22(20)26(23)31-30-25/h3-12,16H,13-15,17H2,1-2H3,(H,30,31)(H2,27,28,29)
InChIKeyGWDDDPNACKPFJN-UHFFFAOYSA-N
XLogP4.63
TPSA68.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,4-diamine?
The IUPAC name of 4-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,4-diamine (CID 139987328) is 4-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,4-diamine.
What is the SMILES notation for 4-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,4-diamine?
The canonical SMILES for 4-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,4-diamine is CN(C)CCNc1cc(NCc2ccc(-c3n[nH]c4c3Cc3ccccc3-4)cc2)ccn1.
What is the InChIKey of 4-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,4-diamine?
The InChIKey is GWDDDPNACKPFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6/c1-32(2)14-13-28-24-16-21(11-12-27-24)29-17-18-7-9-19(10-8-18)25-23-15-20-5-3-4-6-22(20)26(23)31-30-25/h3-12,16H,13-15,17H2,1-2H3,(H,30,31)(H2,27,28,29).
What are the key properties of 4-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,4-diamine?
4-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,4-diamine has a molecular weight of 424.55 g/mol, XLogP of 4.63, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[4-(1,4-dihydroindeno[2,1-d]pyrazol-3-yl)phenyl]methyl]-2-N-[2-(dimethylamino)ethyl]pyridine-2,4-diamine is sourced from PubChem (CID 139987328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).