N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine

C25H29N9O2 — CID 68869079

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(N3CCOCC3)nc(N3CCCC3c3cc(-c4cccnc4C)no3)n2)n[nH]1
InChIInChI=1S/C25H29N9O2/c1-16-13-23(31-30-16)27-22-15-24(33-9-11-35-12-10-33)29-25(28-22)34-8-4-6-20(34)21-14-19(32-36-21)18-5-3-7-26-17(18)2/h3,5,7,13-15,20H,4,6,8-12H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyHFNWWTWXYQGTMB-UHFFFAOYSA-N
MW487.57 g/mol
LogP3.79
Rot. Bonds6

About N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine

N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 68869079) has the molecular formula C25H29N9O2 and a molecular weight of 487.57 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID68869079
Molecular FormulaC25H29N9O2
Molecular Weight487.57 g/mol
Exact Mass487.24
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(N3CCOCC3)nc(N3CCCC3c3cc(-c4cccnc4C)no3)n2)n[nH]1
InChIInChI=1S/C25H29N9O2/c1-16-13-23(31-30-16)27-22-15-24(33-9-11-35-12-10-33)29-25(28-22)34-8-4-6-20(34)21-14-19(32-36-21)18-5-3-7-26-17(18)2/h3,5,7,13-15,20H,4,6,8-12H2,1-2H3,(H2,27,28,29,30,31)
InChIKeyHFNWWTWXYQGTMB-UHFFFAOYSA-N
XLogP3.79
TPSA121.12 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine (CID 68869079) is N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine is Cc1cc(Nc2cc(N3CCOCC3)nc(N3CCCC3c3cc(-c4cccnc4C)no3)n2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is HFNWWTWXYQGTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N9O2/c1-16-13-23(31-30-16)27-22-15-24(33-9-11-35-12-10-33)29-25(28-22)34-8-4-6-20(34)21-14-19(32-36-21)18-5-3-7-26-17(18)2/h3,5,7,13-15,20H,4,6,8-12H2,1-2H3,(H2,27,28,29,30,31).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine?
N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 487.57 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methyl-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 68869079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).