N-[3-cyclopropyl-1-[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide

C21H23N5O2 — CID 170577089

IUPACN-[3-cyclopropyl-1-[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(C1CC1)cn2-c1cc(C)nc(C2CCOC2)n1
InChIInChI=1S/C21H23N5O2/c1-12-7-20(25-21(23-12)15-5-6-28-11-15)26-10-17(14-3-4-14)16-9-22-19(8-18(16)26)24-13(2)27/h7-10,14-15H,3-6,11H2,1-2H3,(H,22,24,27)
InChIKeyXUFCVODQAWNVCV-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.46
Rot. Bonds4

About N-[3-cyclopropyl-1-[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide

N-[3-cyclopropyl-1-[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide (PubChem CID 170577089) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
PubChem CID170577089
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[3-cyclopropyl-1-[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)c(C1CC1)cn2-c1cc(C)nc(C2CCOC2)n1
InChIInChI=1S/C21H23N5O2/c1-12-7-20(25-21(23-12)15-5-6-28-11-15)26-10-17(14-3-4-14)16-9-22-19(8-18(16)26)24-13(2)27/h7-10,14-15H,3-6,11H2,1-2H3,(H,22,24,27)
InChIKeyXUFCVODQAWNVCV-UHFFFAOYSA-N
XLogP3.46
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(oxolan-3-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170576845
N-[3-(1-acetylpiperidin-4-yl)-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
CID 163261735
N-[4-[[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]amino]-5-(1-methylpyrazol-3-yl)-2-pyridinyl]acetamide
CID 170730825
N-[3-cyclopropyl-1-[6-[(3R)-oxolan-3-yl]-2-pyridinyl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170425127
ethyl 2-[4-[6-acetamido-1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]pyrrolo[3,2-c]pyridin-3-yl]cyclohexyl]acetate
CID 163261713
N-[1-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170576741
N-[3-[5-methyl-4-(oxolan-3-yl)-1,3-thiazol-2-yl]-1-(oxetan-3-yl)pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 177028722
N-[1-[6-[(3R)-3-methoxyoxolan-3-yl]-4-methyl-2-pyridinyl]-3-[2-(trideuteriomethyl)-2-azaspiro[3.3]heptan-6-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide
CID 175885288
N-[1-[2-(oxolan-3-yl)-1,3-thiazol-4-yl]pyrazolo[4,3-c]pyridin-6-yl]acetamide
CID 170577721
N-[3-[4-methyl-6-(oxolan-3-yl)-2-pyridinyl]imidazo[1,5-a]pyrazin-6-yl]acetamide
CID 167040368
N-[1-[2-(1,1-difluoroethyl)-6-(oxetan-3-ylamino)pyrimidin-4-yl]-3-ethylpyrrolo[3,2-c]pyridin-6-yl]acetamide
CID 170576817
N-[1-(3-cyanocyclobutyl)-3-[6-(oxolan-3-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridin-5-yl]acetamide
CID 139503843

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?
The IUPAC name of N-[3-cyclopropyl-1-[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide (CID 170577089) is N-[3-cyclopropyl-1-[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[3-cyclopropyl-1-[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?
The canonical SMILES for N-[3-cyclopropyl-1-[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)c(C1CC1)cn2-c1cc(C)nc(C2CCOC2)n1.
What is the InChIKey of N-[3-cyclopropyl-1-[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?
The InChIKey is XUFCVODQAWNVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-12-7-20(25-21(23-12)15-5-6-28-11-15)26-10-17(14-3-4-14)16-9-22-19(8-18(16)26)24-13(2)27/h7-10,14-15H,3-6,11H2,1-2H3,(H,22,24,27).
What are the key properties of N-[3-cyclopropyl-1-[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide?
N-[3-cyclopropyl-1-[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-[6-methyl-2-(oxolan-3-yl)pyrimidin-4-yl]pyrrolo[3,2-c]pyridin-6-yl]acetamide is sourced from PubChem (CID 170577089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).