(5R,7S)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

C17H23N5O2 — CID 146093574

IUPAC(5R,7S)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(nn(C)c2C(=O)NCc2cnc3n2CCC3)[C@H](C)O1
InChIInChI=1S/C17H23N5O2/c1-10-7-13-15(11(2)24-10)20-21(3)16(13)17(23)19-9-12-8-18-14-5-4-6-22(12)14/h8,10-11H,4-7,9H2,1-3H3,(H,19,23)/t10-,11+/m1/s1
InChIKeyOFAGMQYYZHLKLH-MNOVXSKESA-N
MW329.40 g/mol
LogP1.51
Rot. Bonds3

About (5R,7S)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

(5R,7S)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (PubChem CID 146093574) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (5R,7S)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
PubChem CID146093574
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(5R,7S)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(nn(C)c2C(=O)NCc2cnc3n2CCC3)[C@H](C)O1
InChIInChI=1S/C17H23N5O2/c1-10-7-13-15(11(2)24-10)20-21(3)16(13)17(23)19-9-12-8-18-14-5-4-6-22(12)14/h8,10-11H,4-7,9H2,1-3H3,(H,19,23)/t10-,11+/m1/s1
InChIKeyOFAGMQYYZHLKLH-MNOVXSKESA-N
XLogP1.51
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R,7S)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (CID 146093574) is (5R,7S)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is C[C@@H]1Cc2c(nn(C)c2C(=O)NCc2cnc3n2CCC3)[C@H](C)O1.
What is the InChIKey of (5R,7S)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The InChIKey is OFAGMQYYZHLKLH-MNOVXSKESA-N. The full InChI is InChI=1S/C17H23N5O2/c1-10-7-13-15(11(2)24-10)20-21(3)16(13)17(23)19-9-12-8-18-14-5-4-6-22(12)14/h8,10-11H,4-7,9H2,1-3H3,(H,19,23)/t10-,11+/m1/s1.
What are the key properties of (5R,7S)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
(5R,7S)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-N-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethyl)-2,5,7-trimethyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is sourced from PubChem (CID 146093574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).