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

C22H20F3N7O2 — CID 164867037

IUPAC4-(ethylamino)-N,1-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide
SMILESCCNc1nc2cnc(C(=O)N(C)[C@@H]3COc4cc(C(F)(F)F)ncc43)cc2c2c1cnn2C
InChIInChI=1S/C22H20F3N7O2/c1-4-26-20-13-8-29-32(3)19(13)11-5-14(27-9-15(11)30-20)21(33)31(2)16-10-34-17-6-18(22(23,24)25)28-7-12(16)17/h5-9,16H,4,10H2,1-3H3,(H,26,30)/t16-/m1/s1
InChIKeyBSJUFJAROVLRGX-MRXNPFEDSA-N
MW471.44 g/mol
LogP3.57
Rot. Bonds4

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

4-(ethylamino)-N,1-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide (PubChem CID 164867037) has the molecular formula C22H20F3N7O2 and a molecular weight of 471.44 g/mol. Its IUPAC name is 4-(ethylamino)-N,1-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N,1-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide
PubChem CID164867037
Molecular FormulaC22H20F3N7O2
Molecular Weight471.44 g/mol
Exact Mass471.16
IUPAC Name4-(ethylamino)-N,1-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide
SMILESCCNc1nc2cnc(C(=O)N(C)[C@@H]3COc4cc(C(F)(F)F)ncc43)cc2c2c1cnn2C
InChIInChI=1S/C22H20F3N7O2/c1-4-26-20-13-8-29-32(3)19(13)11-5-14(27-9-15(11)30-20)21(33)31(2)16-10-34-17-6-18(22(23,24)25)28-7-12(16)17/h5-9,16H,4,10H2,1-3H3,(H,26,30)/t16-/m1/s1
InChIKeyBSJUFJAROVLRGX-MRXNPFEDSA-N
XLogP3.57
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(ethylamino)-N,1-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N,1-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide?
The IUPAC name of 4-(ethylamino)-N,1-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide (CID 164867037) is 4-(ethylamino)-N,1-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N,1-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide?
The canonical SMILES for 4-(ethylamino)-N,1-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide is CCNc1nc2cnc(C(=O)N(C)[C@@H]3COc4cc(C(F)(F)F)ncc43)cc2c2c1cnn2C.
What is the InChIKey of 4-(ethylamino)-N,1-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide?
The InChIKey is BSJUFJAROVLRGX-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H20F3N7O2/c1-4-26-20-13-8-29-32(3)19(13)11-5-14(27-9-15(11)30-20)21(33)31(2)16-10-34-17-6-18(22(23,24)25)28-7-12(16)17/h5-9,16H,4,10H2,1-3H3,(H,26,30)/t16-/m1/s1.
What are the key properties of 4-(ethylamino)-N,1-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide?
4-(ethylamino)-N,1-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide has a molecular weight of 471.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N,1-dimethyl-N-[(3S)-6-(trifluoromethyl)-2,3-dihydrofuro[3,2-c]pyridin-3-yl]pyrazolo[4,5-c][1,7]naphthyridine-8-carboxamide is sourced from PubChem (CID 164867037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).