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

C27H31N9O3 — CID 68868824

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ncccc1-c1cc(C2CCCN2c2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCOCC3)n2)on1
InChIInChI=1S/C27H31N9O3/c1-37-26-18(4-2-8-28-26)20-14-22(39-34-20)21-5-3-9-36(21)27-30-23(16-25(31-27)35-10-12-38-13-11-35)29-24-15-19(32-33-24)17-6-7-17/h2,4,8,14-17,21H,3,5-7,9-13H2,1H3,(H2,29,30,31,32,33)
InChIKeyDIPBNQUSQBWRHG-UHFFFAOYSA-N
MW529.61 g/mol
LogP4.06
Rot. Bonds8

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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 68868824) has the molecular formula C27H31N9O3 and a molecular weight of 529.61 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID68868824
Molecular FormulaC27H31N9O3
Molecular Weight529.61 g/mol
Exact Mass529.25
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine
SMILESCOc1ncccc1-c1cc(C2CCCN2c2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCOCC3)n2)on1
InChIInChI=1S/C27H31N9O3/c1-37-26-18(4-2-8-28-26)20-14-22(39-34-20)21-5-3-9-36(21)27-30-23(16-25(31-27)35-10-12-38-13-11-35)29-24-15-19(32-33-24)17-6-7-17/h2,4,8,14-17,21H,3,5-7,9-13H2,1H3,(H2,29,30,31,32,33)
InChIKeyDIPBNQUSQBWRHG-UHFFFAOYSA-N
XLogP4.06
TPSA130.35 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.61
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine (CID 68868824) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine is COc1ncccc1-c1cc(C2CCCN2c2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCOCC3)n2)on1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is DIPBNQUSQBWRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N9O3/c1-37-26-18(4-2-8-28-26)20-14-22(39-34-20)21-5-3-9-36(21)27-30-23(16-25(31-27)35-10-12-38-13-11-35)29-24-15-19(32-33-24)17-6-7-17/h2,4,8,14-17,21H,3,5-7,9-13H2,1H3,(H2,29,30,31,32,33).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 529.61 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[2-[3-(2-methoxy-3-pyridinyl)-1,2-oxazol-5-yl]pyrrolidin-1-yl]-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 68868824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).