N'-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]ethane-1,2-diamine

C18H17N7 — CID 71254199

IUPACN'-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]ethane-1,2-diamine
SMILESNCCNc1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1
InChIInChI=1S/C18H17N7/c19-6-8-21-17-5-1-4-14(23-17)18-13-9-15(12-3-2-7-20-10-12)22-11-16(13)24-25-18/h1-5,7,9-11H,6,8,19H2,(H,21,23)(H,24,25)
InChIKeyOUQSBZMPAZAVIV-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.45
Rot. Bonds5

About N'-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]ethane-1,2-diamine

N'-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 71254199) has the molecular formula C18H17N7 and a molecular weight of 331.38 g/mol. Its IUPAC name is N'-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID71254199
Molecular FormulaC18H17N7
Molecular Weight331.38 g/mol
Exact Mass331.15
IUPAC NameN'-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]ethane-1,2-diamine
SMILESNCCNc1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1
InChIInChI=1S/C18H17N7/c19-6-8-21-17-5-1-4-14(23-17)18-13-9-15(12-3-2-7-20-10-12)22-11-16(13)24-25-18/h1-5,7,9-11H,6,8,19H2,(H,21,23)(H,24,25)
InChIKeyOUQSBZMPAZAVIV-UHFFFAOYSA-N
XLogP2.45
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]ethane-1,2-diamine (CID 71254199) is N'-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]ethane-1,2-diamine is NCCNc1cccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)n1.
What is the InChIKey of N'-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is OUQSBZMPAZAVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7/c19-6-8-21-17-5-1-4-14(23-17)18-13-9-15(12-3-2-7-20-10-12)22-11-16(13)24-25-18/h1-5,7,9-11H,6,8,19H2,(H,21,23)(H,24,25).
What are the key properties of N'-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]ethane-1,2-diamine?
N'-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 331.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 71254199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).