4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine

C25H26N6O — CID 10159518

IUPAC4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine
SMILESc1ccc(-c2[nH]ncc2-c2ccnc(Nc3ccc(OCCN4CCCC4)cc3)c2)nc1
InChIInChI=1S/C25H26N6O/c1-2-11-26-23(5-1)25-22(18-28-30-25)19-10-12-27-24(17-19)29-20-6-8-21(9-7-20)32-16-15-31-13-3-4-14-31/h1-2,5-12,17-18H,3-4,13-16H2,(H,27,29)(H,28,30)
InChIKeyCPPVDPVOFYWIAR-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.75
Rot. Bonds8

About 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine

4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine (PubChem CID 10159518) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine
PubChem CID10159518
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine
SMILESc1ccc(-c2[nH]ncc2-c2ccnc(Nc3ccc(OCCN4CCCC4)cc3)c2)nc1
InChIInChI=1S/C25H26N6O/c1-2-11-26-23(5-1)25-22(18-28-30-25)19-10-12-27-24(17-19)29-20-6-8-21(9-7-20)32-16-15-31-13-3-4-14-31/h1-2,5-12,17-18H,3-4,13-16H2,(H,27,29)(H,28,30)
InChIKeyCPPVDPVOFYWIAR-UHFFFAOYSA-N
XLogP4.75
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 91805558
2-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 10112112
2-bromo-4-(5-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 11522294
3-[2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 174231173
5-phenyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,3-thiazol-2-amine
CID 11772958
4-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 22037335
4-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]morpholine
CID 10274522
4-[[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]methyl]morpholine;hydrochloride
CID 10274521
2-[2-ethoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 174733983
5-phenyl-N-[4-(2-piperidin-1-ylethoxy)phenyl]-1,4-dihydropyrimidin-2-amine
CID 173147727
3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137111172
N-[4-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]phenyl]oxane-4-carboxamide
CID 11626023

Frequently Asked Questions

What is the IUPAC name of 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine?
The IUPAC name of 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine (CID 10159518) is 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine.
What is the SMILES notation for 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine?
The canonical SMILES for 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine is c1ccc(-c2[nH]ncc2-c2ccnc(Nc3ccc(OCCN4CCCC4)cc3)c2)nc1.
What is the InChIKey of 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine?
The InChIKey is CPPVDPVOFYWIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-2-11-26-23(5-1)25-22(18-28-30-25)19-10-12-27-24(17-19)29-20-6-8-21(9-7-20)32-16-15-31-13-3-4-14-31/h1-2,5-12,17-18H,3-4,13-16H2,(H,27,29)(H,28,30).
What are the key properties of 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine?
4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine has a molecular weight of 426.52 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridin-2-amine is sourced from PubChem (CID 10159518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).