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

C21H17F3N6O2 — CID 170429702

IUPAC1,4-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[3,4-c][1,7]naphthyridine-3-carboxamide
SMILESCc1nn(C(=O)N[C@@H]2COCc3nc(C(F)(F)F)ccc32)c2c(C)nc3cnccc3c12
InChIInChI=1S/C21H17F3N6O2/c1-10-18-13-5-6-25-7-14(13)26-11(2)19(18)30(29-10)20(31)28-16-9-32-8-15-12(16)3-4-17(27-15)21(22,23)24/h3-7,16H,8-9H2,1-2H3,(H,28,31)/t16-/m1/s1
InChIKeyIPCVLISXDSCXMM-MRXNPFEDSA-N
MW442.40 g/mol
LogP3.84
Rot. Bonds1

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

1,4-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[3,4-c][1,7]naphthyridine-3-carboxamide (PubChem CID 170429702) has the molecular formula C21H17F3N6O2 and a molecular weight of 442.40 g/mol. Its IUPAC name is 1,4-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[3,4-c][1,7]naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[3,4-c][1,7]naphthyridine-3-carboxamide
PubChem CID170429702
Molecular FormulaC21H17F3N6O2
Molecular Weight442.40 g/mol
Exact Mass442.14
IUPAC Name1,4-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[3,4-c][1,7]naphthyridine-3-carboxamide
SMILESCc1nn(C(=O)N[C@@H]2COCc3nc(C(F)(F)F)ccc32)c2c(C)nc3cnccc3c12
InChIInChI=1S/C21H17F3N6O2/c1-10-18-13-5-6-25-7-14(13)26-11(2)19(18)30(29-10)20(31)28-16-9-32-8-15-12(16)3-4-17(27-15)21(22,23)24/h3-7,16H,8-9H2,1-2H3,(H,28,31)/t16-/m1/s1
InChIKeyIPCVLISXDSCXMM-MRXNPFEDSA-N
XLogP3.84
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[3,4-c][1,7]naphthyridine-3-carboxamide?
The IUPAC name of 1,4-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[3,4-c][1,7]naphthyridine-3-carboxamide (CID 170429702) is 1,4-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[3,4-c][1,7]naphthyridine-3-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[3,4-c][1,7]naphthyridine-3-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[3,4-c][1,7]naphthyridine-3-carboxamide is Cc1nn(C(=O)N[C@@H]2COCc3nc(C(F)(F)F)ccc32)c2c(C)nc3cnccc3c12.
What is the InChIKey of 1,4-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[3,4-c][1,7]naphthyridine-3-carboxamide?
The InChIKey is IPCVLISXDSCXMM-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H17F3N6O2/c1-10-18-13-5-6-25-7-14(13)26-11(2)19(18)30(29-10)20(31)28-16-9-32-8-15-12(16)3-4-17(27-15)21(22,23)24/h3-7,16H,8-9H2,1-2H3,(H,28,31)/t16-/m1/s1.
What are the key properties of 1,4-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[3,4-c][1,7]naphthyridine-3-carboxamide?
1,4-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[3,4-c][1,7]naphthyridine-3-carboxamide has a molecular weight of 442.40 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-[(5S)-2-(trifluoromethyl)-6,8-dihydro-5H-pyrano[3,4-b]pyridin-5-yl]pyrazolo[3,4-c][1,7]naphthyridine-3-carboxamide is sourced from PubChem (CID 170429702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).