2-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide

C24H27N9O2 — CID 66828517

IUPAC2-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCNc1ncc(-c2ccc([C@](C)(c3noc(-c4cnn(CC(=O)N(C)C)c4)n3)C3CC3)cn2)cn1
InChIInChI=1S/C24H27N9O2/c1-24(17-5-6-17,18-7-8-19(26-12-18)15-9-27-23(25-2)28-10-15)22-30-21(35-31-22)16-11-29-33(13-16)14-20(34)32(3)4/h7-13,17H,5-6,14H2,1-4H3,(H,25,27,28)/t24-/m1/s1
InChIKeyJIQDXMQOHRTRCF-XMMPIXPASA-N
MW473.54 g/mol
LogP2.63
Rot. Bonds8

About 2-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide

2-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 66828517) has the molecular formula C24H27N9O2 and a molecular weight of 473.54 g/mol. Its IUPAC name is 2-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
PubChem CID66828517
Molecular FormulaC24H27N9O2
Molecular Weight473.54 g/mol
Exact Mass473.23
IUPAC Name2-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCNc1ncc(-c2ccc([C@](C)(c3noc(-c4cnn(CC(=O)N(C)C)c4)n3)C3CC3)cn2)cn1
InChIInChI=1S/C24H27N9O2/c1-24(17-5-6-17,18-7-8-19(26-12-18)15-9-27-23(25-2)28-10-15)22-30-21(35-31-22)16-11-29-33(13-16)14-20(34)32(3)4/h7-13,17H,5-6,14H2,1-4H3,(H,25,27,28)/t24-/m1/s1
InChIKeyJIQDXMQOHRTRCF-XMMPIXPASA-N
XLogP2.63
TPSA127.75 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide (CID 66828517) is 2-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide is CNc1ncc(-c2ccc([C@](C)(c3noc(-c4cnn(CC(=O)N(C)C)c4)n3)C3CC3)cn2)cn1.
What is the InChIKey of 2-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is JIQDXMQOHRTRCF-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27N9O2/c1-24(17-5-6-17,18-7-8-19(26-12-18)15-9-27-23(25-2)28-10-15)22-30-21(35-31-22)16-11-29-33(13-16)14-20(34)32(3)4/h7-13,17H,5-6,14H2,1-4H3,(H,25,27,28)/t24-/m1/s1.
What are the key properties of 2-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide?
2-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 473.54 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[(1R)-1-cyclopropyl-1-[6-[2-(methylamino)pyrimidin-5-yl]-3-pyridinyl]ethyl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 66828517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).