[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-[3-(methylamino)propyl]carbamate

C25H26N6O2 — CID 69366201

IUPAC[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-[3-(methylamino)propyl]carbamate
SMILESCNCCCNC(=O)Oc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1
InChIInChI=1S/C25H26N6O2/c1-26-11-5-13-29-25(32)33-17-8-9-18-19(10-14-28-21(18)16-17)23-22-7-4-15-31(22)30-24(23)20-6-2-3-12-27-20/h2-3,6,8-10,12,14,16,26H,4-5,7,11,13,15H2,1H3,(H,29,32)
InChIKeyXNGASGSKJRCREW-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.80
Rot. Bonds7

About [4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-[3-(methylamino)propyl]carbamate

[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-[3-(methylamino)propyl]carbamate (PubChem CID 69366201) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is [4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-[3-(methylamino)propyl]carbamate.

Molecular Properties

Compound Name[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-[3-(methylamino)propyl]carbamate
PubChem CID69366201
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-[3-(methylamino)propyl]carbamate
SMILESCNCCCNC(=O)Oc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1
InChIInChI=1S/C25H26N6O2/c1-26-11-5-13-29-25(32)33-17-8-9-18-19(10-14-28-21(18)16-17)23-22-7-4-15-31(22)30-24(23)20-6-2-3-12-27-20/h2-3,6,8-10,12,14,16,26H,4-5,7,11,13,15H2,1H3,(H,29,32)
InChIKeyXNGASGSKJRCREW-UHFFFAOYSA-N
XLogP3.80
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-[3-(methylamino)propyl]carbamate?
The IUPAC name of [4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-[3-(methylamino)propyl]carbamate (CID 69366201) is [4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-[3-(methylamino)propyl]carbamate.
What is the SMILES notation for [4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-[3-(methylamino)propyl]carbamate?
The canonical SMILES for [4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-[3-(methylamino)propyl]carbamate is CNCCCNC(=O)Oc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1.
What is the InChIKey of [4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-[3-(methylamino)propyl]carbamate?
The InChIKey is XNGASGSKJRCREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-26-11-5-13-29-25(32)33-17-8-9-18-19(10-14-28-21(18)16-17)23-22-7-4-15-31(22)30-24(23)20-6-2-3-12-27-20/h2-3,6,8-10,12,14,16,26H,4-5,7,11,13,15H2,1H3,(H,29,32).
What are the key properties of [4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-[3-(methylamino)propyl]carbamate?
[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-[3-(methylamino)propyl]carbamate has a molecular weight of 442.52 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-[3-(methylamino)propyl]carbamate is sourced from PubChem (CID 69366201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).