7-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-5-N-[(2-oxo-6,7-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

C21H21N7O5 — CID 143588407

IUPAC7-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-5-N-[(2-oxo-6,7-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCN1CC[C@H](NC(=O)c2cc(C(=O)NCC3=Cc4[nH]c(=O)oc4CC3)nc3ccnn23)C1=O
InChIInChI=1S/C21H21N7O5/c1-27-7-5-12(20(27)31)25-19(30)15-9-14(24-17-4-6-23-28(15)17)18(29)22-10-11-2-3-16-13(8-11)26-21(32)33-16/h4,6,8-9,12H,2-3,5,7,10H2,1H3,(H,22,29)(H,25,30)(H,26,32)/t12-/m0/s1
InChIKeyBXSYPAIMKSIAPP-LBPRGKRZSA-N
MW451.44 g/mol
LogP-0.27
Rot. Bonds5

About 7-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-5-N-[(2-oxo-6,7-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide

7-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-5-N-[(2-oxo-6,7-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (PubChem CID 143588407) has the molecular formula C21H21N7O5 and a molecular weight of 451.44 g/mol. Its IUPAC name is 7-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-5-N-[(2-oxo-6,7-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-5-N-[(2-oxo-6,7-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
PubChem CID143588407
Molecular FormulaC21H21N7O5
Molecular Weight451.44 g/mol
Exact Mass451.16
IUPAC Name7-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-5-N-[(2-oxo-6,7-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
SMILESCN1CC[C@H](NC(=O)c2cc(C(=O)NCC3=Cc4[nH]c(=O)oc4CC3)nc3ccnn23)C1=O
InChIInChI=1S/C21H21N7O5/c1-27-7-5-12(20(27)31)25-19(30)15-9-14(24-17-4-6-23-28(15)17)18(29)22-10-11-2-3-16-13(8-11)26-21(32)33-16/h4,6,8-9,12H,2-3,5,7,10H2,1H3,(H,22,29)(H,25,30)(H,26,32)/t12-/m0/s1
InChIKeyBXSYPAIMKSIAPP-LBPRGKRZSA-N
XLogP-0.27
TPSA154.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.44
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-5-N-[(2-oxo-6,7-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide with MolForge

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Related Compounds

(3Z)-3-[(2E)-2-ethylidene-3-[[5-[[(2E,3Z,5E)-2-ethylidene-6-(trifluoromethoxy)hepta-3,5-dienyl]carbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]cyclopentylidene]butanoic acid
CID 143344500
7-N-[(1-acetylpiperidin-4-yl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-6,7-dihydro-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143587529
5-N-[(E)-2-methyl-3-(5-oxo-2-prop-2-enyl-4H-1,4-oxazin-3-yl)prop-2-enyl]-7-N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143587604
3-fluoro-5-N-[(3-methoxy-3,4,7,8-tetrahydro-2H-1,4-benzoxazin-6-yl)methyl]-7-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143587678
8-amino-2-N-[(3-methyl-2-oxo-6,7-dihydro-1,3-benzoxazol-5-yl)methyl]-4-N-oxopyrrolo[1,2-a]pyrimidine-2,4-dicarboxamide
CID 143342513
7-N-(cyclopentylmethyl)-5-N-[(3-oxo-7,8-dihydro-4H-1,4-benzoxazin-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143587538
ethane;7-N-methyl-7-N-[(1-methyl-3,5-dipropylcyclohexyl)methyl]-5-N-[(3-methyl-2-oxo-4,7-dihydrocycloocta[d][1,3]oxazol-6-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143587993
5-N-[(Z)-4-(4-ethyl-3-methyl-2-oxo-1,3-oxazol-5-yl)but-3-enyl]-7-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 143588530
5-methyl-N-(2-oxopiperidin-3-yl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110090685
N-[1-(5-methylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperidin-4-yl]acetamide
CID 110090766
5-methyl-N-[(2-methyloxolan-2-yl)methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 110111305
N-butan-2-yl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110848527

Frequently Asked Questions

What is the IUPAC name of 7-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-5-N-[(2-oxo-6,7-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The IUPAC name of 7-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-5-N-[(2-oxo-6,7-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide (CID 143588407) is 7-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-5-N-[(2-oxo-6,7-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide.
What is the SMILES notation for 7-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-5-N-[(2-oxo-6,7-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The canonical SMILES for 7-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-5-N-[(2-oxo-6,7-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is CN1CC[C@H](NC(=O)c2cc(C(=O)NCC3=Cc4[nH]c(=O)oc4CC3)nc3ccnn23)C1=O.
What is the InChIKey of 7-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-5-N-[(2-oxo-6,7-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
The InChIKey is BXSYPAIMKSIAPP-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H21N7O5/c1-27-7-5-12(20(27)31)25-19(30)15-9-14(24-17-4-6-23-28(15)17)18(29)22-10-11-2-3-16-13(8-11)26-21(32)33-16/h4,6,8-9,12H,2-3,5,7,10H2,1H3,(H,22,29)(H,25,30)(H,26,32)/t12-/m0/s1.
What are the key properties of 7-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-5-N-[(2-oxo-6,7-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide?
7-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-5-N-[(2-oxo-6,7-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide has a molecular weight of 451.44 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-5-N-[(2-oxo-6,7-dihydro-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide is sourced from PubChem (CID 143588407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).