N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide

C16H22N4O4 — CID 167829074

IUPACN-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC(=O)C1CCCn2nccc21
InChIInChI=1S/C16H22N4O4/c1-9(21)18-11-7-23-15-12(8-24-14(11)15)19-16(22)10-3-2-6-20-13(10)4-5-17-20/h4-5,10-12,14-15H,2-3,6-8H2,1H3,(H,18,21)(H,19,22)/t10?,11-,12-,14+,15+/m0/s1
InChIKeyYENATZWIZSONIF-CEYIJGJHSA-N
MW334.38 g/mol
LogP-0.45
Rot. Bonds3

About N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide

N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide (PubChem CID 167829074) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide
PubChem CID167829074
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC NameN-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide
SMILESCC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC(=O)C1CCCn2nccc21
InChIInChI=1S/C16H22N4O4/c1-9(21)18-11-7-23-15-12(8-24-14(11)15)19-16(22)10-3-2-6-20-13(10)4-5-17-20/h4-5,10-12,14-15H,2-3,6-8H2,1H3,(H,18,21)(H,19,22)/t10?,11-,12-,14+,15+/m0/s1
InChIKeyYENATZWIZSONIF-CEYIJGJHSA-N
XLogP-0.45
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-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-(oxolan-3-ylmethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide
CID 154864949
N-[1-[(3,3-dimethylcyclobutyl)methyl]-2-methylpiperidin-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide
CID 166330207
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ylurea
CID 146082295
N-[(3S,3aR,6S,6aR)-6-[4-(cyclohexylmethyl)triazol-1-yl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetamide
CID 11912008
N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-methyl-1,3-oxazole-5-carboxamide
CID 167946600
2-(4-aminoquinazolin-2-yl)-3-oxo-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl)propanenitrile
CID 167841044
N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 167817937
ethane;4-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 142387767
N-[6-(4-phenyltriazol-1-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetamide
CID 73134960
2-(cyclopropanecarbonylamino)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-yl)pyridine-4-carboxamide
CID 136558498
N-[3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide
CID 73139550
N-[(2S,3S)-1-methyl-2-(2-methylpyrazol-3-yl)-5-oxopyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 154869795

Frequently Asked Questions

What is the IUPAC name of N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide?
The IUPAC name of N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide (CID 167829074) is N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide?
The canonical SMILES for N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide is CC(=O)N[C@H]1CO[C@H]2[C@@H]1OC[C@@H]2NC(=O)C1CCCn2nccc21.
What is the InChIKey of N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide?
The InChIKey is YENATZWIZSONIF-CEYIJGJHSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-9(21)18-11-7-23-15-12(8-24-14(11)15)19-16(22)10-3-2-6-20-13(10)4-5-17-20/h4-5,10-12,14-15H,2-3,6-8H2,1H3,(H,18,21)(H,19,22)/t10?,11-,12-,14+,15+/m0/s1.
What are the key properties of N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide?
N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,3aR,6S,6aR)-3-acetamido-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-4-carboxamide is sourced from PubChem (CID 167829074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).