N-[(2S)-2-(2-hydroxypropan-2-yl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H27N5O4 — CID 129284254

IUPACN-[(2S)-2-(2-hydroxypropan-2-yl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(O)[C@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2O1
InChIInChI=1S/C23H27N5O4/c1-22(2,30)23(3)13-15-11-17(18(12-19(15)32-23)27-7-9-31-10-8-27)26-21(29)16-14-25-28-6-4-5-24-20(16)28/h4-6,11-12,14,30H,7-10,13H2,1-3H3,(H,26,29)/t23-/m0/s1
InChIKeyMJJHITLSWWXZFV-QHCPKHFHSA-N
MW437.50 g/mol
LogP2.28
Rot. Bonds4

About N-[(2S)-2-(2-hydroxypropan-2-yl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(2S)-2-(2-hydroxypropan-2-yl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129284254) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[(2S)-2-(2-hydroxypropan-2-yl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-hydroxypropan-2-yl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129284254
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC NameN-[(2S)-2-(2-hydroxypropan-2-yl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(C)(O)[C@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2O1
InChIInChI=1S/C23H27N5O4/c1-22(2,30)23(3)13-15-11-17(18(12-19(15)32-23)27-7-9-31-10-8-27)26-21(29)16-14-25-28-6-4-5-24-20(16)28/h4-6,11-12,14,30H,7-10,13H2,1-3H3,(H,26,29)/t23-/m0/s1
InChIKeyMJJHITLSWWXZFV-QHCPKHFHSA-N
XLogP2.28
TPSA101.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-hydroxypropan-2-yl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2S)-2-(2-hydroxypropan-2-yl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129284254) is N-[(2S)-2-(2-hydroxypropan-2-yl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(2-hydroxypropan-2-yl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(2-hydroxypropan-2-yl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(C)(O)[C@]1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2O1.
What is the InChIKey of N-[(2S)-2-(2-hydroxypropan-2-yl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MJJHITLSWWXZFV-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-22(2,30)23(3)13-15-11-17(18(12-19(15)32-23)27-7-9-31-10-8-27)26-21(29)16-14-25-28-6-4-5-24-20(16)28/h4-6,11-12,14,30H,7-10,13H2,1-3H3,(H,26,29)/t23-/m0/s1.
What are the key properties of N-[(2S)-2-(2-hydroxypropan-2-yl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(2S)-2-(2-hydroxypropan-2-yl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-hydroxypropan-2-yl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129284254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).