N-[2-(hydroxymethyl)-6-(4-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H27N5O3 — CID 145338713

IUPACN-[2-(hydroxymethyl)-6-(4-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CCCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(CO)O3)CC1
InChIInChI=1S/C23H27N5O3/c1-15-4-2-7-27(9-5-15)20-12-21-16(10-17(14-29)31-21)11-19(20)26-23(30)18-13-25-28-8-3-6-24-22(18)28/h3,6,8,11-13,15,17,29H,2,4-5,7,9-10,14H2,1H3,(H,26,30)
InChIKeyMXIRLFBBOUKFEY-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.90
Rot. Bonds4

About N-[2-(hydroxymethyl)-6-(4-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[2-(hydroxymethyl)-6-(4-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 145338713) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-6-(4-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-6-(4-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID145338713
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[2-(hydroxymethyl)-6-(4-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CCCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(CO)O3)CC1
InChIInChI=1S/C23H27N5O3/c1-15-4-2-7-27(9-5-15)20-12-21-16(10-17(14-29)31-21)11-19(20)26-23(30)18-13-25-28-8-3-6-24-22(18)28/h3,6,8,11-13,15,17,29H,2,4-5,7,9-10,14H2,1H3,(H,26,30)
InChIKeyMXIRLFBBOUKFEY-UHFFFAOYSA-N
XLogP2.90
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-(hydroxymethyl)-6-(4-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide 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-(2-methyl-6-pyrrolidin-1-yl-2,3-dihydro-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145338503
N-[(2S)-6-[(4R)-4-hydroxyazepan-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129297064
N-[6-(3,3-difluoropyrrolidin-1-yl)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 145338344
N-[(2R)-2-(hydroxymethyl)-6-[(4R)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(2R)-2-(hydroxymethyl)-6-[(4S)-4-hydroxy-4-methylazepan-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 159283697
N-[2-(hydroxymethyl)-6-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135354418
N-[(2R)-2-(2-hydroxyethyl)-6-[4-(hydroxymethyl)piperidin-1-yl]-2-(trifluoromethyl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129297549
N-[(2R)-6-[4-(2-amino-2-hydroxyethyl)piperidin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129297980
N-[(2R)-2-ethyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284178
N-(2-ethyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284180
N-[6-(4-acetyl-1,4-diazepan-1-yl)-2,2-dimethyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298193
N-[(2S)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-2-(hydroxymethyl)-2-methyl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129283946
N-[2-(iodomethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167375705

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-6-(4-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)-6-(4-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 145338713) is N-[2-(hydroxymethyl)-6-(4-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-6-(4-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)-6-(4-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1CCCN(c2cc3c(cc2NC(=O)c2cnn4cccnc24)CC(CO)O3)CC1.
What is the InChIKey of N-[2-(hydroxymethyl)-6-(4-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MXIRLFBBOUKFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-15-4-2-7-27(9-5-15)20-12-21-16(10-17(14-29)31-21)11-19(20)26-23(30)18-13-25-28-8-3-6-24-22(18)28/h3,6,8,11-13,15,17,29H,2,4-5,7,9-10,14H2,1H3,(H,26,30).
What are the key properties of N-[2-(hydroxymethyl)-6-(4-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(hydroxymethyl)-6-(4-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-6-(4-methylazepan-1-yl)-2,3-dihydro-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 145338713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).