N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine

C22H24N8O — CID 68813663

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCCc1cc(Nc2cc(C)nc(N3CCCC3c3cc(-c4ccccn4)no3)n2)n[nH]1
InChIInChI=1S/C22H24N8O/c1-3-15-12-21(28-27-15)25-20-11-14(2)24-22(26-20)30-10-6-8-18(30)19-13-17(29-31-19)16-7-4-5-9-23-16/h4-5,7,9,11-13,18H,3,6,8,10H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyADPVUGDRAAPGBC-UHFFFAOYSA-N
MW416.49 g/mol
LogP4.21
Rot. Bonds6

About N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine

N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 68813663) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID68813663
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCCc1cc(Nc2cc(C)nc(N3CCCC3c3cc(-c4ccccn4)no3)n2)n[nH]1
InChIInChI=1S/C22H24N8O/c1-3-15-12-21(28-27-15)25-20-11-14(2)24-22(26-20)30-10-6-8-18(30)19-13-17(29-31-19)16-7-4-5-9-23-16/h4-5,7,9,11-13,18H,3,6,8,10H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyADPVUGDRAAPGBC-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine (CID 68813663) is N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine is CCc1cc(Nc2cc(C)nc(N3CCCC3c3cc(-c4ccccn4)no3)n2)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is ADPVUGDRAAPGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-3-15-12-21(28-27-15)25-20-11-14(2)24-22(26-20)30-10-6-8-18(30)19-13-17(29-31-19)16-7-4-5-9-23-16/h4-5,7,9,11-13,18H,3,6,8,10H2,1-2H3,(H2,24,25,26,27,28).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine?
N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 416.49 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-6-methyl-2-[2-(3-pyridin-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 68813663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).