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

C27H22N6O2 — CID 69366839

IUPAC[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-(pyridin-4-ylmethyl)carbamate
SMILESO=C(NCc1ccncc1)Oc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1
InChIInChI=1S/C27H22N6O2/c34-27(31-17-18-8-12-28-13-9-18)35-19-6-7-20-21(10-14-30-23(20)16-19)25-24-5-3-15-33(24)32-26(25)22-4-1-2-11-29-22/h1-2,4,6-14,16H,3,5,15,17H2,(H,31,34)
InChIKeyOAWQOHCYEHNKOU-UHFFFAOYSA-N
MW462.51 g/mol
LogP4.79
Rot. Bonds5

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

[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-(pyridin-4-ylmethyl)carbamate (PubChem CID 69366839) has the molecular formula C27H22N6O2 and a molecular weight of 462.51 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-(pyridin-4-ylmethyl)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-(pyridin-4-ylmethyl)carbamate
PubChem CID69366839
Molecular FormulaC27H22N6O2
Molecular Weight462.51 g/mol
Exact Mass462.18
IUPAC Name[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-(pyridin-4-ylmethyl)carbamate
SMILESO=C(NCc1ccncc1)Oc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1
InChIInChI=1S/C27H22N6O2/c34-27(31-17-18-8-12-28-13-9-18)35-19-6-7-20-21(10-14-30-23(20)16-19)25-24-5-3-15-33(24)32-26(25)22-4-1-2-11-29-22/h1-2,4,6-14,16H,3,5,15,17H2,(H,31,34)
InChIKeyOAWQOHCYEHNKOU-UHFFFAOYSA-N
XLogP4.79
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[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
4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide
CID 66678679
N-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carboxamide
CID 66678199
N-(2-phenylethyl)-3-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxypropan-1-amine
CID 69365385
N,N-dimethyl-3-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]oxybenzenecarbothioamide
CID 10206741
2-morpholin-4-yl-1-[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl]ethanone
CID 126698221
7-cyclohexyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline;2,2,2-trifluoroacetic acid
CID 10029260
methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline-7-carbonyl]amino]hexanoate
CID 69366902
[6-(3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-2-yl)-2-pyridinyl]methanol
CID 10154449
3-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 11616416
1-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)pyrrolo[2,3-b]pyridine;4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 159944761
7-bromo-2-propan-2-yl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 10224794

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-(pyridin-4-ylmethyl)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-(pyridin-4-ylmethyl)carbamate (CID 69366839) is [4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-(pyridin-4-ylmethyl)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-(pyridin-4-ylmethyl)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-(pyridin-4-ylmethyl)carbamate is O=C(NCc1ccncc1)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-(pyridin-4-ylmethyl)carbamate?
The InChIKey is OAWQOHCYEHNKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O2/c34-27(31-17-18-8-12-28-13-9-18)35-19-6-7-20-21(10-14-30-23(20)16-19)25-24-5-3-15-33(24)32-26(25)22-4-1-2-11-29-22/h1-2,4,6-14,16H,3,5,15,17H2,(H,31,34).
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-(pyridin-4-ylmethyl)carbamate?
[4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinolin-7-yl] N-(pyridin-4-ylmethyl)carbamate has a molecular weight of 462.51 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 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-(pyridin-4-ylmethyl)carbamate is sourced from PubChem (CID 69366839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).