4-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinoline

C28H27N5O — CID 10389030

IUPAC4-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinoline
SMILESc1ccc(-c2nn3ccccc3c2-c2ccnc3cc(OCCCN4CCCC4)ccc23)nc1
InChIInChI=1S/C28H27N5O/c1-3-13-29-24(8-1)28-27(26-9-2-4-18-33(26)31-28)23-12-14-30-25-20-21(10-11-22(23)25)34-19-7-17-32-15-5-6-16-32/h1-4,8-14,18,20H,5-7,15-17,19H2
InChIKeyKTBHJLFTLLNJNK-UHFFFAOYSA-N
MW449.56 g/mol
LogP5.48
Rot. Bonds7

About 4-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinoline

4-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinoline (PubChem CID 10389030) has the molecular formula C28H27N5O and a molecular weight of 449.56 g/mol. Its IUPAC name is 4-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinoline.

Molecular Properties

Compound Name4-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinoline
PubChem CID10389030
Molecular FormulaC28H27N5O
Molecular Weight449.56 g/mol
Exact Mass449.22
IUPAC Name4-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinoline
SMILESc1ccc(-c2nn3ccccc3c2-c2ccnc3cc(OCCCN4CCCC4)ccc23)nc1
InChIInChI=1S/C28H27N5O/c1-3-13-29-24(8-1)28-27(26-9-2-4-18-33(26)31-28)23-12-14-30-25-20-21(10-11-22(23)25)34-19-7-17-32-15-5-6-16-32/h1-4,8-14,18,20H,5-7,15-17,19H2
InChIKeyKTBHJLFTLLNJNK-UHFFFAOYSA-N
XLogP5.48
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
4-(5-benzyl-2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)quinoline
CID 69224532
4-(2-pyridin-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepin-3-yl)quinolin-7-ol
CID 135433972
[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
2-[2-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 174733983
ethane;7-methyl-4-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 91242747
7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 22649254
methyl 3-[4-[2-(6-methyl-2-pyridinyl)pyrazolo[1,5-a]pyridin-3-yl]quinolin-7-yl]propanoate
CID 10251668
2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 91805558
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
4-[2-[4-[(3S,3aS)-2-pyridin-2-yl-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b]pyrazol-3-yl]quinolin-7-yl]oxyethyl]morpholine
CID 129373489
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

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinoline?
The IUPAC name of 4-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinoline (CID 10389030) is 4-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinoline.
What is the SMILES notation for 4-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinoline?
The canonical SMILES for 4-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinoline is c1ccc(-c2nn3ccccc3c2-c2ccnc3cc(OCCCN4CCCC4)ccc23)nc1.
What is the InChIKey of 4-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinoline?
The InChIKey is KTBHJLFTLLNJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O/c1-3-13-29-24(8-1)28-27(26-9-2-4-18-33(26)31-28)23-12-14-30-25-20-21(10-11-22(23)25)34-19-7-17-32-15-5-6-16-32/h1-4,8-14,18,20H,5-7,15-17,19H2.
What are the key properties of 4-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinoline?
4-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinoline has a molecular weight of 449.56 g/mol, XLogP of 5.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinoline is sourced from PubChem (CID 10389030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).