1-ethyl-5-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-7-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5,7-dicarboxamide

C22H25F3N8O2 — CID 137490629

IUPAC1-ethyl-5-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-7-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5,7-dicarboxamide
SMILESCCN1CCCN(C(=O)Nc2n[nH]c3nc(C)ccc23)c2nc(C(=O)N[C@H](C)C(F)(F)F)ccc21
InChIInChI=1S/C22H25F3N8O2/c1-4-32-10-5-11-33(21(35)29-18-14-7-6-12(2)26-17(14)30-31-18)19-16(32)9-8-15(28-19)20(34)27-13(3)22(23,24)25/h6-9,13H,4-5,10-11H2,1-3H3,(H,27,34)(H2,26,29,30,31,35)/t13-/m1/s1
InChIKeyFNQVMBUPMYGGPP-CYBMUJFWSA-N
MW490.49 g/mol
LogP3.61
Rot. Bonds4

About 1-ethyl-5-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-7-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5,7-dicarboxamide

1-ethyl-5-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-7-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5,7-dicarboxamide (PubChem CID 137490629) has the molecular formula C22H25F3N8O2 and a molecular weight of 490.49 g/mol. Its IUPAC name is 1-ethyl-5-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-7-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5,7-dicarboxamide.

Molecular Properties

Compound Name1-ethyl-5-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-7-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5,7-dicarboxamide
PubChem CID137490629
Molecular FormulaC22H25F3N8O2
Molecular Weight490.49 g/mol
Exact Mass490.21
IUPAC Name1-ethyl-5-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-7-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5,7-dicarboxamide
SMILESCCN1CCCN(C(=O)Nc2n[nH]c3nc(C)ccc23)c2nc(C(=O)N[C@H](C)C(F)(F)F)ccc21
InChIInChI=1S/C22H25F3N8O2/c1-4-32-10-5-11-33(21(35)29-18-14-7-6-12(2)26-17(14)30-31-18)19-16(32)9-8-15(28-19)20(34)27-13(3)22(23,24)25/h6-9,13H,4-5,10-11H2,1-3H3,(H,27,34)(H2,26,29,30,31,35)/t13-/m1/s1
InChIKeyFNQVMBUPMYGGPP-CYBMUJFWSA-N
XLogP3.61
TPSA119.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.49
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-5-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-7-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5,7-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-7-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5,7-dicarboxamide?
The IUPAC name of 1-ethyl-5-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-7-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5,7-dicarboxamide (CID 137490629) is 1-ethyl-5-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-7-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5,7-dicarboxamide.
What is the SMILES notation for 1-ethyl-5-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-7-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5,7-dicarboxamide?
The canonical SMILES for 1-ethyl-5-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-7-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5,7-dicarboxamide is CCN1CCCN(C(=O)Nc2n[nH]c3nc(C)ccc23)c2nc(C(=O)N[C@H](C)C(F)(F)F)ccc21.
What is the InChIKey of 1-ethyl-5-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-7-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5,7-dicarboxamide?
The InChIKey is FNQVMBUPMYGGPP-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H25F3N8O2/c1-4-32-10-5-11-33(21(35)29-18-14-7-6-12(2)26-17(14)30-31-18)19-16(32)9-8-15(28-19)20(34)27-13(3)22(23,24)25/h6-9,13H,4-5,10-11H2,1-3H3,(H,27,34)(H2,26,29,30,31,35)/t13-/m1/s1.
What are the key properties of 1-ethyl-5-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-7-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5,7-dicarboxamide?
1-ethyl-5-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-7-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5,7-dicarboxamide has a molecular weight of 490.49 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-7-N-[(2R)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrido[2,3-b][1,4]diazepine-5,7-dicarboxamide is sourced from PubChem (CID 137490629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).