N,N-dimethyl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine

C20H17N7 — CID 137110860

IUPACN,N-dimethyl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
SMILESCN(C)c1cncc(-c2cc3c(-c4cc5cnccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C20H17N7/c1-27(2)14-5-12(9-22-10-14)17-7-15-19(11-23-17)25-26-20(15)18-6-13-8-21-4-3-16(13)24-18/h3-11,24H,1-2H3,(H,25,26)
InChIKeyKGZIGXBASPDPSX-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.63
Rot. Bonds3

About N,N-dimethyl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine

N,N-dimethyl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine (PubChem CID 137110860) has the molecular formula C20H17N7 and a molecular weight of 355.41 g/mol. Its IUPAC name is N,N-dimethyl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
PubChem CID137110860
Molecular FormulaC20H17N7
Molecular Weight355.41 g/mol
Exact Mass355.15
IUPAC NameN,N-dimethyl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
SMILESCN(C)c1cncc(-c2cc3c(-c4cc5cnccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C20H17N7/c1-27(2)14-5-12(9-22-10-14)17-7-15-19(11-23-17)25-26-20(15)18-6-13-8-21-4-3-16(13)24-18/h3-11,24H,1-2H3,(H,25,26)
InChIKeyKGZIGXBASPDPSX-UHFFFAOYSA-N
XLogP3.63
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?
The IUPAC name of N,N-dimethyl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine (CID 137110860) is N,N-dimethyl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine.
What is the SMILES notation for N,N-dimethyl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?
The canonical SMILES for N,N-dimethyl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine is CN(C)c1cncc(-c2cc3c(-c4cc5cnccc5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of N,N-dimethyl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?
The InChIKey is KGZIGXBASPDPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7/c1-27(2)14-5-12(9-22-10-14)17-7-15-19(11-23-17)25-26-20(15)18-6-13-8-21-4-3-16(13)24-18/h3-11,24H,1-2H3,(H,25,26).
What are the key properties of N,N-dimethyl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine?
N,N-dimethyl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine has a molecular weight of 355.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 137110860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).