5-[5-[1-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazol-1-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

C25H29N9O — CID 174689977

IUPAC5-[5-[1-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazol-1-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(n4cnc(-c5cnn(CCN6CCOCC6)c5)c4)CCC3)cn2)cn1
InChIInChI=1S/C25H29N9O/c26-24-28-12-19(13-29-24)22-3-2-21(15-27-22)25(4-1-5-25)33-17-23(30-18-33)20-14-31-34(16-20)7-6-32-8-10-35-11-9-32/h2-3,12-18H,1,4-11H2,(H2,26,28,29)
InChIKeyOAHCZYJCMWUCEP-UHFFFAOYSA-N
MW471.57 g/mol
LogP2.44
Rot. Bonds7

About 5-[5-[1-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazol-1-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

5-[5-[1-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazol-1-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 174689977) has the molecular formula C25H29N9O and a molecular weight of 471.57 g/mol. Its IUPAC name is 5-[5-[1-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazol-1-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazol-1-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID174689977
Molecular FormulaC25H29N9O
Molecular Weight471.57 g/mol
Exact Mass471.25
IUPAC Name5-[5-[1-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazol-1-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(C3(n4cnc(-c5cnn(CCN6CCOCC6)c5)c4)CCC3)cn2)cn1
InChIInChI=1S/C25H29N9O/c26-24-28-12-19(13-29-24)22-3-2-21(15-27-22)25(4-1-5-25)33-17-23(30-18-33)20-14-31-34(16-20)7-6-32-8-10-35-11-9-32/h2-3,12-18H,1,4-11H2,(H2,26,28,29)
InChIKeyOAHCZYJCMWUCEP-UHFFFAOYSA-N
XLogP2.44
TPSA112.80 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline
CID 58917079
5-[5-[1-[5-[1-(methylsulfanylmethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 66825819
N-methyl-6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-amine
CID 141200703
5-[5-[1-[5-[1-(2-amino-2-methylpropyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 66824588
5-[4-[1-[5-[1-(2-aminoethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
CID 66780354
[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
CID 90288240
6-[1-[2-(azetidin-1-yl)ethyl]pyrazol-4-yl]imidazo[1,2-b]pyridazine
CID 141367155
4-[4-[2-[3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]phenyl]pyrimidin-5-yl]pyrazol-1-yl]cyclohexan-1-ol
CID 118234168
4-[2-[4-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyrazol-1-yl]ethyl]morpholine
CID 162645311
4-[3-(4-pyridin-3-ylpyrazol-1-yl)propyl]morpholine
CID 141300555
4-[2-[4-[5-(cyclopenten-1-yl)-1-sulfanylpyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethyl]morpholine
CID 69052356
4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine
CID 171431398

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazol-1-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazol-1-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 174689977) is 5-[5-[1-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazol-1-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[1-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazol-1-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazol-1-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(C3(n4cnc(-c5cnn(CCN6CCOCC6)c5)c4)CCC3)cn2)cn1.
What is the InChIKey of 5-[5-[1-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazol-1-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is OAHCZYJCMWUCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O/c26-24-28-12-19(13-29-24)22-3-2-21(15-27-22)25(4-1-5-25)33-17-23(30-18-33)20-14-31-34(16-20)7-6-32-8-10-35-11-9-32/h2-3,12-18H,1,4-11H2,(H2,26,28,29).
What are the key properties of 5-[5-[1-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazol-1-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazol-1-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 471.57 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]imidazol-1-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 174689977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).