N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H28N6O3 — CID 146483001

IUPACN-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cnn3ccc(N[C@@H]4CCCNC4)nc13)CC(C)(C)O2
InChIInChI=1S/C23H28N6O3/c1-23(2)11-14-9-17(19(31-3)10-18(14)32-23)27-22(30)16-13-25-29-8-6-20(28-21(16)29)26-15-5-4-7-24-12-15/h6,8-10,13,15,24H,4-5,7,11-12H2,1-3H3,(H,26,28)(H,27,30)/t15-/m1/s1
InChIKeyPBHCARPAFQCVGI-OAHLLOKOSA-N
MW436.52 g/mol
LogP2.87
Rot. Bonds5

About N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 146483001) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID146483001
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC NameN-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cc2c(cc1NC(=O)c1cnn3ccc(N[C@@H]4CCCNC4)nc13)CC(C)(C)O2
InChIInChI=1S/C23H28N6O3/c1-23(2)11-14-9-17(19(31-3)10-18(14)32-23)27-22(30)16-13-25-29-8-6-20(28-21(16)29)26-15-5-4-7-24-12-15/h6,8-10,13,15,24H,4-5,7,11-12H2,1-3H3,(H,26,28)(H,27,30)/t15-/m1/s1
InChIKeyPBHCARPAFQCVGI-OAHLLOKOSA-N
XLogP2.87
TPSA101.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-[[(3R)-piperidin-3-yl]amino]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

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 146483001) is N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cc2c(cc1NC(=O)c1cnn3ccc(N[C@@H]4CCCNC4)nc13)CC(C)(C)O2.
What is the InChIKey of N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PBHCARPAFQCVGI-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-23(2)11-14-9-17(19(31-3)10-18(14)32-23)27-22(30)16-13-25-29-8-6-20(28-21(16)29)26-15-5-4-7-24-12-15/h6,8-10,13,15,24H,4-5,7,11-12H2,1-3H3,(H,26,28)(H,27,30)/t15-/m1/s1.
What are the key properties of N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)-5-[[(3R)-piperidin-3-yl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 146483001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).