(5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-N,1,5,7-tetramethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

C18H24N4O3 — CID 146111176

IUPAC(5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-N,1,5,7-tetramethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESCOc1cncc(CN(C)C(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)c1
InChIInChI=1S/C18H24N4O3/c1-11-6-15-16(20-22(4)17(15)12(2)25-11)18(23)21(3)10-13-7-14(24-5)9-19-8-13/h7-9,11-12H,6,10H2,1-5H3/t11-,12+/m0/s1
InChIKeyBXCLWPAXJGACSQ-NWDGAFQWSA-N
MW344.42 g/mol
LogP2.12
Rot. Bonds4

About (5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-N,1,5,7-tetramethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide

(5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-N,1,5,7-tetramethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (PubChem CID 146111176) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-N,1,5,7-tetramethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name(5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-N,1,5,7-tetramethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
PubChem CID146111176
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-N,1,5,7-tetramethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide
SMILESCOc1cncc(CN(C)C(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)c1
InChIInChI=1S/C18H24N4O3/c1-11-6-15-16(20-22(4)17(15)12(2)25-11)18(23)21(3)10-13-7-14(24-5)9-19-8-13/h7-9,11-12H,6,10H2,1-5H3/t11-,12+/m0/s1
InChIKeyBXCLWPAXJGACSQ-NWDGAFQWSA-N
XLogP2.12
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-N,1,5,7-tetramethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide with MolForge

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Related Compounds

7-Methoxy-1-[2-(4-morpholinyl)ethyl]-N-(phenyl-2-pyridinylmethyl)-1H-indazole-3-carboxamide
CID 10906799
5-(5-Methyl-2-pyridinyl)-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67973635
4-(4-Fluorophenyl)-5-[(1-methylpyrazol-3-yl)methoxy]pyridine-2-carboxamide
CID 122539788
(3S)-5-methyl-3-[7-oxo-2-(pyridin-2-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-2,3-dihydro-1,5-benzoxazepin-4-one
CID 135308946
(3S)-5-methyl-3-[7-oxo-2-(pyridin-3-ylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-2,3-dihydro-1,5-benzoxazepin-4-one
CID 135309069
N-{[4-(Propan-2-yloxy)phenyl]methyl}pyrazolo[1,5-A]pyridine-2-carboxamide
CID 16024936
N-[(1-methylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 24790505
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}benzamide
CID 24791409
N-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-4-[[1-(2-pyridinylmethyl)-4-piperidinyl]oxy]benzamide
CID 24817125
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)H-pyrazolo[1,5-a]pyridine-5-carboxamide
CID 44361021
(7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(2-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 122190394
(7R)-2-[(5-fluoro-2-pyridinyl)oxymethyl]-7-methyl-5-(3-methylphenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 122190395

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-N,1,5,7-tetramethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The IUPAC name of (5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-N,1,5,7-tetramethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide (CID 146111176) is (5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-N,1,5,7-tetramethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide.
What is the SMILES notation for (5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-N,1,5,7-tetramethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The canonical SMILES for (5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-N,1,5,7-tetramethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is COc1cncc(CN(C)C(=O)c2nn(C)c3c2C[C@H](C)O[C@@H]3C)c1.
What is the InChIKey of (5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-N,1,5,7-tetramethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
The InChIKey is BXCLWPAXJGACSQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11-6-15-16(20-22(4)17(15)12(2)25-11)18(23)21(3)10-13-7-14(24-5)9-19-8-13/h7-9,11-12H,6,10H2,1-5H3/t11-,12+/m0/s1.
What are the key properties of (5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-N,1,5,7-tetramethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide?
(5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-N,1,5,7-tetramethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-N-[(5-methoxy-3-pyridinyl)methyl]-N,1,5,7-tetramethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazole-3-carboxamide is sourced from PubChem (CID 146111176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).