N-[1-[2-[(3R)-3-cyano-3-methylpyrrolidin-1-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide

C22H25N7O — CID 170640728

IUPACN-[1-[2-[(3R)-3-cyano-3-methylpyrrolidin-1-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cc(C)nc(N2CC[C@@](C)(C#N)C2)n1
InChIInChI=1S/C22H25N7O/c1-14-8-19(27-20(25-14)28-7-6-21(3,11-23)12-28)29-13-22(4-5-22)16-10-24-18(9-17(16)29)26-15(2)30/h8-10H,4-7,12-13H2,1-3H3,(H,24,26,30)/t21-/m0/s1
InChIKeySLLJJTQLCSYEPG-NRFANRHFSA-N
MW403.49 g/mol
LogP3.06
Rot. Bonds3

About N-[1-[2-[(3R)-3-cyano-3-methylpyrrolidin-1-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide

N-[1-[2-[(3R)-3-cyano-3-methylpyrrolidin-1-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide (PubChem CID 170640728) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[1-[2-[(3R)-3-cyano-3-methylpyrrolidin-1-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[(3R)-3-cyano-3-methylpyrrolidin-1-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
PubChem CID170640728
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC NameN-[1-[2-[(3R)-3-cyano-3-methylpyrrolidin-1-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cc(C)nc(N2CC[C@@](C)(C#N)C2)n1
InChIInChI=1S/C22H25N7O/c1-14-8-19(27-20(25-14)28-7-6-21(3,11-23)12-28)29-13-22(4-5-22)16-10-24-18(9-17(16)29)26-15(2)30/h8-10H,4-7,12-13H2,1-3H3,(H,24,26,30)/t21-/m0/s1
InChIKeySLLJJTQLCSYEPG-NRFANRHFSA-N
XLogP3.06
TPSA98.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[2-[(3R)-3-cyano-3-methylpyrrolidin-1-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-[3-cyano-3-(difluoromethyl)azetidin-1-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170641123
N-[1-[6-methyl-2-(2-methylazetidin-1-yl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640655
N-[1-[2-(1,1-difluoroethyl)-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640887
N-[1-[6-methyl-2-(2-methylcyclopropyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170641079
N-[1-(6-amino-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170641001
N-[1-[6-methyl-2-(2-methylsulfonylethyl)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640865
N-[1-(6-ethyl-2-methylpyrimidin-4-yl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640641
N-[1-[2-[5-(difluoromethyl)-1-methylpyrazol-4-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640991
N-[1-[2-(6-methoxypiperidin-3-yl)-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 176889143
N-[1-(6-cyclopentyloxy-4-methyl-2-pyridinyl)spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640717
N-[1-[2-[4-(cyclopropanecarbonyl)-4-methoxypiperidin-1-yl]-6-methyl-4-pyridinyl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 176889134
N-[1-[2-(1,1-difluoroethyl)-6-(propan-2-ylamino)pyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide
CID 170640611

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3R)-3-cyano-3-methylpyrrolidin-1-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
The IUPAC name of N-[1-[2-[(3R)-3-cyano-3-methylpyrrolidin-1-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide (CID 170640728) is N-[1-[2-[(3R)-3-cyano-3-methylpyrrolidin-1-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide.
What is the SMILES notation for N-[1-[2-[(3R)-3-cyano-3-methylpyrrolidin-1-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
The canonical SMILES for N-[1-[2-[(3R)-3-cyano-3-methylpyrrolidin-1-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide is CC(=O)Nc1cc2c(cn1)C1(CC1)CN2c1cc(C)nc(N2CC[C@@](C)(C#N)C2)n1.
What is the InChIKey of N-[1-[2-[(3R)-3-cyano-3-methylpyrrolidin-1-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
The InChIKey is SLLJJTQLCSYEPG-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25N7O/c1-14-8-19(27-20(25-14)28-7-6-21(3,11-23)12-28)29-13-22(4-5-22)16-10-24-18(9-17(16)29)26-15(2)30/h8-10H,4-7,12-13H2,1-3H3,(H,24,26,30)/t21-/m0/s1.
What are the key properties of N-[1-[2-[(3R)-3-cyano-3-methylpyrrolidin-1-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide?
N-[1-[2-[(3R)-3-cyano-3-methylpyrrolidin-1-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide has a molecular weight of 403.49 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3R)-3-cyano-3-methylpyrrolidin-1-yl]-6-methylpyrimidin-4-yl]spiro[2H-pyrrolo[3,2-c]pyridine-3,1'-cyclopropane]-6-yl]acetamide is sourced from PubChem (CID 170640728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).