(3aS,7aS)-7a-N-methyl-2-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-2,7a-dicarboxamide

C17H25N5O3 — CID 138017853

IUPAC(3aS,7aS)-7a-N-methyl-2-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-2,7a-dicarboxamide
SMILESCNC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)NC1CCc3[nH]ncc3C1)C2
InChIInChI=1S/C17H25N5O3/c1-18-15(23)17-4-5-25-9-12(17)8-22(10-17)16(24)20-13-2-3-14-11(6-13)7-19-21-14/h7,12-13H,2-6,8-10H2,1H3,(H,18,23)(H,19,21)(H,20,24)/t12-,13?,17+/m0/s1
InChIKeyVIPNYORIJHKFTK-GFMNRZNCSA-N
MW347.42 g/mol
LogP0.06
Rot. Bonds2

About (3aS,7aS)-7a-N-methyl-2-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-2,7a-dicarboxamide

(3aS,7aS)-7a-N-methyl-2-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-2,7a-dicarboxamide (PubChem CID 138017853) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is (3aS,7aS)-7a-N-methyl-2-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-2,7a-dicarboxamide.

Molecular Properties

Compound Name(3aS,7aS)-7a-N-methyl-2-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-2,7a-dicarboxamide
PubChem CID138017853
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name(3aS,7aS)-7a-N-methyl-2-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-2,7a-dicarboxamide
SMILESCNC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)NC1CCc3[nH]ncc3C1)C2
InChIInChI=1S/C17H25N5O3/c1-18-15(23)17-4-5-25-9-12(17)8-22(10-17)16(24)20-13-2-3-14-11(6-13)7-19-21-14/h7,12-13H,2-6,8-10H2,1H3,(H,18,23)(H,19,21)(H,20,24)/t12-,13?,17+/m0/s1
InChIKeyVIPNYORIJHKFTK-GFMNRZNCSA-N
XLogP0.06
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3aS,7aS)-7a-N-methyl-2-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-2,7a-dicarboxamide with MolForge

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Related Compounds

(3aR,7aR)-2-N-[(1R,2S)-2-ethoxy-2-methylcyclopropyl]-7a-N-methyl-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-2,7a-dicarboxamide
CID 138049754
(3aS,7aS)-7a-N-methyl-2-N-(2-phenylprop-2-enyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-2,7a-dicarboxamide
CID 138017857
1-[(3aR,7aR)-7a-(methylcarbamoyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-2-carbonyl]cyclopent-3-ene-1-carboxylic acid
CID 154767501
4-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperazine-1-carboxamide
CID 124736798
1-[2-(2-methylphenyl)pyrazol-3-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 75515741
1-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 124738907
1-[4-(2-morpholin-4-ylethyl)phenyl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 126793528
1-(6-tert-butylpyridazin-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327583
1-(2-amino-2-oxoethyl)-N-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]piperidine-4-carboxamide
CID 97119621
(2S)-2-[(2-aminoacetyl)-methylamino]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pentanamide
CID 142095859
1-(1,5-dimethylpyrazol-3-yl)-3-[(5S)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327595
N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)acetamide
CID 20546780

Frequently Asked Questions

What is the IUPAC name of (3aS,7aS)-7a-N-methyl-2-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-2,7a-dicarboxamide?
The IUPAC name of (3aS,7aS)-7a-N-methyl-2-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-2,7a-dicarboxamide (CID 138017853) is (3aS,7aS)-7a-N-methyl-2-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-2,7a-dicarboxamide.
What is the SMILES notation for (3aS,7aS)-7a-N-methyl-2-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-2,7a-dicarboxamide?
The canonical SMILES for (3aS,7aS)-7a-N-methyl-2-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-2,7a-dicarboxamide is CNC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)NC1CCc3[nH]ncc3C1)C2.
What is the InChIKey of (3aS,7aS)-7a-N-methyl-2-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-2,7a-dicarboxamide?
The InChIKey is VIPNYORIJHKFTK-GFMNRZNCSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-18-15(23)17-4-5-25-9-12(17)8-22(10-17)16(24)20-13-2-3-14-11(6-13)7-19-21-14/h7,12-13H,2-6,8-10H2,1H3,(H,18,23)(H,19,21)(H,20,24)/t12-,13?,17+/m0/s1.
What are the key properties of (3aS,7aS)-7a-N-methyl-2-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-2,7a-dicarboxamide?
(3aS,7aS)-7a-N-methyl-2-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-2,7a-dicarboxamide has a molecular weight of 347.42 g/mol, XLogP of 0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aS)-7a-N-methyl-2-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-2,7a-dicarboxamide is sourced from PubChem (CID 138017853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).