4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-2-amine

C22H24N8O — CID 170573556

IUPAC4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-2-amine
SMILESCC(Nc1nccc(-c2cccc(-c3cc([C@@H]4CCN(C)C4)on3)n2)n1)c1ccn[nH]1
InChIInChI=1S/C22H24N8O/c1-14(16-7-10-24-28-16)25-22-23-9-6-19(27-22)17-4-3-5-18(26-17)20-12-21(31-29-20)15-8-11-30(2)13-15/h3-7,9-10,12,14-15H,8,11,13H2,1-2H3,(H,24,28)(H,23,25,27)/t14?,15-/m1/s1
InChIKeyIPWOUYJMSRJXPU-YSSOQSIOSA-N
MW416.49 g/mol
LogP3.51
Rot. Bonds6

About 4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-2-amine

4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-2-amine (PubChem CID 170573556) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-2-amine
PubChem CID170573556
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-2-amine
SMILESCC(Nc1nccc(-c2cccc(-c3cc([C@@H]4CCN(C)C4)on3)n2)n1)c1ccn[nH]1
InChIInChI=1S/C22H24N8O/c1-14(16-7-10-24-28-16)25-22-23-9-6-19(27-22)17-4-3-5-18(26-17)20-12-21(31-29-20)15-8-11-30(2)13-15/h3-7,9-10,12,14-15H,8,11,13H2,1-2H3,(H,24,28)(H,23,25,27)/t14?,15-/m1/s1
InChIKeyIPWOUYJMSRJXPU-YSSOQSIOSA-N
XLogP3.51
TPSA108.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-imidazo[1,2-a]pyridin-3-ylethyl]-4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-amine
CID 170573710
(3S)-1-methyl-3-[3-[6-[2-[[(1S)-1-pyridin-4-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170379580
(3S)-1-methyl-3-[3-[6-[2-[[(1R)-1-pyridin-4-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170379578
(3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-7-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 170379695
(3S)-3-[3-[6-[2-[[(1S)-1-imidazo[1,2-a]pyridin-6-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 170379577
(3S)-3-[3-[6-[2-[[(2S)-1-(3,3-difluoroazetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 170384332
(2S)-N-methyl-2-[[4-[6-[5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]-N-phenylpropanamide
CID 170384435
3-hydroxy-1-methyl-3-[3-[6-[2-[[(1S)-1-pyridin-4-ylethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326952
3-hydroxy-1-methyl-3-[3-[6-[2-[[(1R)-1-(1H-pyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326874
3-hydroxy-1-methyl-3-[3-[6-[2-[[(1S)-1-(1H-pyrazol-4-yl)ethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326976
(3R)-3-hydroxy-1-methyl-3-[3-[6-[2-[[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 170326743
1-methyl-4-[3-[6-[2-(1-pyridin-4-ylethylamino)pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-2H-pyrrol-5-one
CID 170384128

Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-2-amine (CID 170573556) is 4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-2-amine is CC(Nc1nccc(-c2cccc(-c3cc([C@@H]4CCN(C)C4)on3)n2)n1)c1ccn[nH]1.
What is the InChIKey of 4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-2-amine?
The InChIKey is IPWOUYJMSRJXPU-YSSOQSIOSA-N. The full InChI is InChI=1S/C22H24N8O/c1-14(16-7-10-24-28-16)25-22-23-9-6-19(27-22)17-4-3-5-18(26-17)20-12-21(31-29-20)15-8-11-30(2)13-15/h3-7,9-10,12,14-15H,8,11,13H2,1-2H3,(H,24,28)(H,23,25,27)/t14?,15-/m1/s1.
What are the key properties of 4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-2-amine?
4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-2-amine has a molecular weight of 416.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]-N-[1-(1H-pyrazol-5-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 170573556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).