2-chloro-N-[2-[5-methyl-3-(2-methyl-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]acetamide

C19H23ClN6O3 — CID 166738382

IUPAC2-chloro-N-[2-[5-methyl-3-(2-methyl-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]acetamide
SMILESCc1nc(N2CCOCC2)c2oc(-c3cc(C)n(CCNC(=O)CCl)n3)cc2n1
InChIInChI=1S/C19H23ClN6O3/c1-12-9-14(24-26(12)4-3-21-17(27)11-20)16-10-15-18(29-16)19(23-13(2)22-15)25-5-7-28-8-6-25/h9-10H,3-8,11H2,1-2H3,(H,21,27)
InChIKeyFYJZQXIIOSFVLO-UHFFFAOYSA-N
MW418.89 g/mol
LogP1.89
Rot. Bonds6

About 2-chloro-N-[2-[5-methyl-3-(2-methyl-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]acetamide

2-chloro-N-[2-[5-methyl-3-(2-methyl-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]acetamide (PubChem CID 166738382) has the molecular formula C19H23ClN6O3 and a molecular weight of 418.89 g/mol. Its IUPAC name is 2-chloro-N-[2-[5-methyl-3-(2-methyl-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[5-methyl-3-(2-methyl-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]acetamide
PubChem CID166738382
Molecular FormulaC19H23ClN6O3
Molecular Weight418.89 g/mol
Exact Mass418.15
IUPAC Name2-chloro-N-[2-[5-methyl-3-(2-methyl-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]acetamide
SMILESCc1nc(N2CCOCC2)c2oc(-c3cc(C)n(CCNC(=O)CCl)n3)cc2n1
InChIInChI=1S/C19H23ClN6O3/c1-12-9-14(24-26(12)4-3-21-17(27)11-20)16-10-15-18(29-16)19(23-13(2)22-15)25-5-7-28-8-6-25/h9-10H,3-8,11H2,1-2H3,(H,21,27)
InChIKeyFYJZQXIIOSFVLO-UHFFFAOYSA-N
XLogP1.89
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.89
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

CID 166164666
CID 166164666
2-methyl-4-morpholin-4-yl-6-(1,3-oxazol-2-yl)furo[3,2-d]pyrimidine
CID 166164919
tert-butyl 5-(2-chloro-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)-3-methylpyrazole-1-carboxylate
CID 166164494
N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide
CID 16901797
2-methyl-4-morpholin-4-yl-6-[(3E,5Z)-octa-3,5,7-trien-3-yl]furo[3,2-d]pyrimidine
CID 166164967
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 91816437
2-methyl-4-morpholin-4-yl-6-nonan-4-ylfuro[3,2-d]pyrimidine
CID 166164830
N-[2-(6-ethylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]-3,3-dimethylbutanamide
CID 16902985
N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]butanamide
CID 16904154
2-(4-ethoxyphenoxy)-N-[2-(6-methylsulfanyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
CID 16901887
2-(3-methylphenyl)-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
CID 16904259
2-ethoxy-N-[2-(4-morpholin-4-yl-6-propylsulfanylpyrazolo[5,4-d]pyrimidin-1-yl)ethyl]acetamide
CID 16904173

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[5-methyl-3-(2-methyl-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]acetamide?
The IUPAC name of 2-chloro-N-[2-[5-methyl-3-(2-methyl-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]acetamide (CID 166738382) is 2-chloro-N-[2-[5-methyl-3-(2-methyl-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-[5-methyl-3-(2-methyl-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-[5-methyl-3-(2-methyl-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]acetamide is Cc1nc(N2CCOCC2)c2oc(-c3cc(C)n(CCNC(=O)CCl)n3)cc2n1.
What is the InChIKey of 2-chloro-N-[2-[5-methyl-3-(2-methyl-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]acetamide?
The InChIKey is FYJZQXIIOSFVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6O3/c1-12-9-14(24-26(12)4-3-21-17(27)11-20)16-10-15-18(29-16)19(23-13(2)22-15)25-5-7-28-8-6-25/h9-10H,3-8,11H2,1-2H3,(H,21,27).
What are the key properties of 2-chloro-N-[2-[5-methyl-3-(2-methyl-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]acetamide?
2-chloro-N-[2-[5-methyl-3-(2-methyl-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]acetamide has a molecular weight of 418.89 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[5-methyl-3-(2-methyl-4-morpholin-4-ylfuro[3,2-d]pyrimidin-6-yl)pyrazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 166738382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).