3,4,7-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,3-c][1,8]naphthyridine-1-carboxamide

C22H19F3N6O2 — CID 170430283

IUPAC3,4,7-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,3-c][1,8]naphthyridine-1-carboxamide
SMILESCc1ccc2c(n1)nc(C)c1c(C)nn(C(=O)N[C@@H]3COCc4nc(C(F)(F)F)ccc43)c12
InChIInChI=1S/C22H19F3N6O2/c1-10-4-5-14-19-18(11(2)27-20(14)26-10)12(3)30-31(19)21(32)29-16-9-33-8-15-13(16)6-7-17(28-15)22(23,24)25/h4-7,16H,8-9H2,1-3H3,(H,29,32)/t16-/m1/s1
InChIKeyLEMNVHQBGWBSLM-MRXNPFEDSA-N
MW456.43 g/mol
LogP4.15
Rot. Bonds1

About 3,4,7-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,3-c][1,8]naphthyridine-1-carboxamide

3,4,7-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,3-c][1,8]naphthyridine-1-carboxamide (PubChem CID 170430283) has the molecular formula C22H19F3N6O2 and a molecular weight of 456.43 g/mol. Its IUPAC name is 3,4,7-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,3-c][1,8]naphthyridine-1-carboxamide.

Molecular Properties

Compound Name3,4,7-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,3-c][1,8]naphthyridine-1-carboxamide
PubChem CID170430283
Molecular FormulaC22H19F3N6O2
Molecular Weight456.43 g/mol
Exact Mass456.15
IUPAC Name3,4,7-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,3-c][1,8]naphthyridine-1-carboxamide
SMILESCc1ccc2c(n1)nc(C)c1c(C)nn(C(=O)N[C@@H]3COCc4nc(C(F)(F)F)ccc43)c12
InChIInChI=1S/C22H19F3N6O2/c1-10-4-5-14-19-18(11(2)27-20(14)26-10)12(3)30-31(19)21(32)29-16-9-33-8-15-13(16)6-7-17(28-15)22(23,24)25/h4-7,16H,8-9H2,1-3H3,(H,29,32)/t16-/m1/s1
InChIKeyLEMNVHQBGWBSLM-MRXNPFEDSA-N
XLogP4.15
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3,4,7-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,3-c][1,8]naphthyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,4,7-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,3-c][1,8]naphthyridine-1-carboxamide?
The IUPAC name of 3,4,7-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,3-c][1,8]naphthyridine-1-carboxamide (CID 170430283) is 3,4,7-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,3-c][1,8]naphthyridine-1-carboxamide.
What is the SMILES notation for 3,4,7-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,3-c][1,8]naphthyridine-1-carboxamide?
The canonical SMILES for 3,4,7-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,3-c][1,8]naphthyridine-1-carboxamide is Cc1ccc2c(n1)nc(C)c1c(C)nn(C(=O)N[C@@H]3COCc4nc(C(F)(F)F)ccc43)c12.
What is the InChIKey of 3,4,7-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,3-c][1,8]naphthyridine-1-carboxamide?
The InChIKey is LEMNVHQBGWBSLM-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H19F3N6O2/c1-10-4-5-14-19-18(11(2)27-20(14)26-10)12(3)30-31(19)21(32)29-16-9-33-8-15-13(16)6-7-17(28-15)22(23,24)25/h4-7,16H,8-9H2,1-3H3,(H,29,32)/t16-/m1/s1.
What are the key properties of 3,4,7-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,3-c][1,8]naphthyridine-1-carboxamide?
3,4,7-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,3-c][1,8]naphthyridine-1-carboxamide has a molecular weight of 456.43 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,7-trimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[4,3-c][1,8]naphthyridine-1-carboxamide is sourced from PubChem (CID 170430283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).