(5R,7S)-2,5,7-trimethyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

C19H21N5O3 — CID 167934608

IUPAC(5R,7S)-2,5,7-trimethyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(nn(C)c2C(=O)NCc2cc(=O)n3ccccc3n2)[C@H](C)O1
InChIInChI=1S/C19H21N5O3/c1-11-8-14-17(12(2)27-11)22-23(3)18(14)19(26)20-10-13-9-16(25)24-7-5-4-6-15(24)21-13/h4-7,9,11-12H,8,10H2,1-3H3,(H,20,26)/t11-,12+/m1/s1
InChIKeyZRCJQLAESUGIKR-NEPJUHHUSA-N
MW367.41 g/mol
LogP1.38
Rot. Bonds3

About (5R,7S)-2,5,7-trimethyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide

(5R,7S)-2,5,7-trimethyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (PubChem CID 167934608) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is (5R,7S)-2,5,7-trimethyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5R,7S)-2,5,7-trimethyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
PubChem CID167934608
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name(5R,7S)-2,5,7-trimethyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide
SMILESC[C@@H]1Cc2c(nn(C)c2C(=O)NCc2cc(=O)n3ccccc3n2)[C@H](C)O1
InChIInChI=1S/C19H21N5O3/c1-11-8-14-17(12(2)27-11)22-23(3)18(14)19(26)20-10-13-9-16(25)24-7-5-4-6-15(24)21-13/h4-7,9,11-12H,8,10H2,1-3H3,(H,20,26)/t11-,12+/m1/s1
InChIKeyZRCJQLAESUGIKR-NEPJUHHUSA-N
XLogP1.38
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5R,7S)-2,5,7-trimethyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-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)-2,5,7-trimethyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The IUPAC name of (5R,7S)-2,5,7-trimethyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide (CID 167934608) is (5R,7S)-2,5,7-trimethyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide.
What is the SMILES notation for (5R,7S)-2,5,7-trimethyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The canonical SMILES for (5R,7S)-2,5,7-trimethyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is C[C@@H]1Cc2c(nn(C)c2C(=O)NCc2cc(=O)n3ccccc3n2)[C@H](C)O1.
What is the InChIKey of (5R,7S)-2,5,7-trimethyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
The InChIKey is ZRCJQLAESUGIKR-NEPJUHHUSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-11-8-14-17(12(2)27-11)22-23(3)18(14)19(26)20-10-13-9-16(25)24-7-5-4-6-15(24)21-13/h4-7,9,11-12H,8,10H2,1-3H3,(H,20,26)/t11-,12+/m1/s1.
What are the key properties of (5R,7S)-2,5,7-trimethyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide?
(5R,7S)-2,5,7-trimethyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-2,5,7-trimethyl-N-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carboxamide is sourced from PubChem (CID 167934608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).