N-[(1S,3R)-3-[(4-ethoxy-6-oxopyran-2-carbonyl)amino]cyclopentyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H23N5O5 — CID 166348597

IUPACN-[(1S,3R)-3-[(4-ethoxy-6-oxopyran-2-carbonyl)amino]cyclopentyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1cc(C(=O)N[C@@H]2CC[C@H](NC(=O)c3cnn4ccc(C)nc34)C2)oc(=O)c1
InChIInChI=1S/C21H23N5O5/c1-3-30-15-9-17(31-18(27)10-15)21(29)25-14-5-4-13(8-14)24-20(28)16-11-22-26-7-6-12(2)23-19(16)26/h6-7,9-11,13-14H,3-5,8H2,1-2H3,(H,24,28)(H,25,29)/t13-,14+/m0/s1
InChIKeyXVAUSWSANLKELD-UONOGXRCSA-N
MW425.45 g/mol
LogP1.47
Rot. Bonds6

About N-[(1S,3R)-3-[(4-ethoxy-6-oxopyran-2-carbonyl)amino]cyclopentyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1S,3R)-3-[(4-ethoxy-6-oxopyran-2-carbonyl)amino]cyclopentyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 166348597) has the molecular formula C21H23N5O5 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[(1S,3R)-3-[(4-ethoxy-6-oxopyran-2-carbonyl)amino]cyclopentyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-[(4-ethoxy-6-oxopyran-2-carbonyl)amino]cyclopentyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID166348597
Molecular FormulaC21H23N5O5
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC NameN-[(1S,3R)-3-[(4-ethoxy-6-oxopyran-2-carbonyl)amino]cyclopentyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOc1cc(C(=O)N[C@@H]2CC[C@H](NC(=O)c3cnn4ccc(C)nc34)C2)oc(=O)c1
InChIInChI=1S/C21H23N5O5/c1-3-30-15-9-17(31-18(27)10-15)21(29)25-14-5-4-13(8-14)24-20(28)16-11-22-26-7-6-12(2)23-19(16)26/h6-7,9-11,13-14H,3-5,8H2,1-2H3,(H,24,28)(H,25,29)/t13-,14+/m0/s1
InChIKeyXVAUSWSANLKELD-UONOGXRCSA-N
XLogP1.47
TPSA127.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
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N-cyclohexyl-5-(cyclohexylmethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58063129
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3-methyl-2-[(5-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]pentanoic acid
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CID 128986488
N-[cyclopropyl-(6-methoxy-3-pyridinyl)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-[(4-ethoxy-6-oxopyran-2-carbonyl)amino]cyclopentyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1S,3R)-3-[(4-ethoxy-6-oxopyran-2-carbonyl)amino]cyclopentyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 166348597) is N-[(1S,3R)-3-[(4-ethoxy-6-oxopyran-2-carbonyl)amino]cyclopentyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-[(4-ethoxy-6-oxopyran-2-carbonyl)amino]cyclopentyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-[(4-ethoxy-6-oxopyran-2-carbonyl)amino]cyclopentyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOc1cc(C(=O)N[C@@H]2CC[C@H](NC(=O)c3cnn4ccc(C)nc34)C2)oc(=O)c1.
What is the InChIKey of N-[(1S,3R)-3-[(4-ethoxy-6-oxopyran-2-carbonyl)amino]cyclopentyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XVAUSWSANLKELD-UONOGXRCSA-N. The full InChI is InChI=1S/C21H23N5O5/c1-3-30-15-9-17(31-18(27)10-15)21(29)25-14-5-4-13(8-14)24-20(28)16-11-22-26-7-6-12(2)23-19(16)26/h6-7,9-11,13-14H,3-5,8H2,1-2H3,(H,24,28)(H,25,29)/t13-,14+/m0/s1.
What are the key properties of N-[(1S,3R)-3-[(4-ethoxy-6-oxopyran-2-carbonyl)amino]cyclopentyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1S,3R)-3-[(4-ethoxy-6-oxopyran-2-carbonyl)amino]cyclopentyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-[(4-ethoxy-6-oxopyran-2-carbonyl)amino]cyclopentyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 166348597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).