(5S,7R)-N-(2-methoxyethyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

C19H26N4O3 — CID 167878216

IUPAC(5S,7R)-N-(2-methoxyethyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESCOCCN(Cc1ccccn1)C(=O)c1nn(C)c2c1C[C@H](C)O[C@@H]2C
InChIInChI=1S/C19H26N4O3/c1-13-11-16-17(21-22(3)18(16)14(2)26-13)19(24)23(9-10-25-4)12-15-7-5-6-8-20-15/h5-8,13-14H,9-12H2,1-4H3/t13-,14+/m0/s1
InChIKeyVBLYHONETVHOSC-UONOGXRCSA-N
MW358.44 g/mol
LogP2.13
Rot. Bonds6

About (5S,7R)-N-(2-methoxyethyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

(5S,7R)-N-(2-methoxyethyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 167878216) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (5S,7R)-N-(2-methoxyethyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5S,7R)-N-(2-methoxyethyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID167878216
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(5S,7R)-N-(2-methoxyethyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESCOCCN(Cc1ccccn1)C(=O)c1nn(C)c2c1C[C@H](C)O[C@@H]2C
InChIInChI=1S/C19H26N4O3/c1-13-11-16-17(21-22(3)18(16)14(2)26-13)19(24)23(9-10-25-4)12-15-7-5-6-8-20-15/h5-8,13-14H,9-12H2,1-4H3/t13-,14+/m0/s1
InChIKeyVBLYHONETVHOSC-UONOGXRCSA-N
XLogP2.13
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-(2-methoxyethyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5S,7R)-N-(2-methoxyethyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (CID 167878216) is (5S,7R)-N-(2-methoxyethyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5S,7R)-N-(2-methoxyethyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5S,7R)-N-(2-methoxyethyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is COCCN(Cc1ccccn1)C(=O)c1nn(C)c2c1C[C@H](C)O[C@@H]2C.
What is the InChIKey of (5S,7R)-N-(2-methoxyethyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is VBLYHONETVHOSC-UONOGXRCSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13-11-16-17(21-22(3)18(16)14(2)26-13)19(24)23(9-10-25-4)12-15-7-5-6-8-20-15/h5-8,13-14H,9-12H2,1-4H3/t13-,14+/m0/s1.
What are the key properties of (5S,7R)-N-(2-methoxyethyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
(5S,7R)-N-(2-methoxyethyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-N-(2-methoxyethyl)-1,5,7-trimethyl-N-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 167878216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).