N,N-dimethyl-3-[5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-amine

C23H26N6 — CID 45487444

IUPACN,N-dimethyl-3-[5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-amine
SMILESCN(C)CCCn1cnc2cc(-c3c(-c4ccccn4)nn4c3CCC4)ccc21
InChIInChI=1S/C23H26N6/c1-27(2)12-6-13-28-16-25-19-15-17(9-10-20(19)28)22-21-8-5-14-29(21)26-23(22)18-7-3-4-11-24-18/h3-4,7,9-11,15-16H,5-6,8,12-14H2,1-2H3
InChIKeyCIXBGUCEOUVDPJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.86
Rot. Bonds6

About N,N-dimethyl-3-[5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-amine

N,N-dimethyl-3-[5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-amine (PubChem CID 45487444) has the molecular formula C23H26N6 and a molecular weight of 386.50 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-amine
PubChem CID45487444
Molecular FormulaC23H26N6
Molecular Weight386.50 g/mol
Exact Mass386.22
IUPAC NameN,N-dimethyl-3-[5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-amine
SMILESCN(C)CCCn1cnc2cc(-c3c(-c4ccccn4)nn4c3CCC4)ccc21
InChIInChI=1S/C23H26N6/c1-27(2)12-6-13-28-16-25-19-15-17(9-10-20(19)28)22-21-8-5-14-29(21)26-23(22)18-7-3-4-11-24-18/h3-4,7,9-11,15-16H,5-6,8,12-14H2,1-2H3
InChIKeyCIXBGUCEOUVDPJ-UHFFFAOYSA-N
XLogP3.86
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-amine (CID 45487444) is N,N-dimethyl-3-[5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-amine is CN(C)CCCn1cnc2cc(-c3c(-c4ccccn4)nn4c3CCC4)ccc21.
What is the InChIKey of N,N-dimethyl-3-[5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-amine?
The InChIKey is CIXBGUCEOUVDPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6/c1-27(2)12-6-13-28-16-25-19-15-17(9-10-20(19)28)22-21-8-5-14-29(21)26-23(22)18-7-3-4-11-24-18/h3-4,7,9-11,15-16H,5-6,8,12-14H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-amine?
N,N-dimethyl-3-[5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-amine has a molecular weight of 386.50 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)benzimidazol-1-yl]propan-1-amine is sourced from PubChem (CID 45487444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).