N-[2-(dimethylamino)ethyl]-5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide

C16H22FN7O — CID 134076131

IUPACN-[2-(dimethylamino)ethyl]-5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
SMILESCN(C)CCNC(=O)C1CN(c2ncc(F)cn2)Cc2ccnn2C1
InChIInChI=1S/C16H22FN7O/c1-22(2)6-5-18-15(25)12-9-23(16-19-7-13(17)8-20-16)11-14-3-4-21-24(14)10-12/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,18,25)
InChIKeyGVOTWOYKFMEZMI-UHFFFAOYSA-N
MW347.40 g/mol
LogP0.13
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide

N-[2-(dimethylamino)ethyl]-5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide (PubChem CID 134076131) has the molecular formula C16H22FN7O and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
PubChem CID134076131
Molecular FormulaC16H22FN7O
Molecular Weight347.40 g/mol
Exact Mass347.19
IUPAC NameN-[2-(dimethylamino)ethyl]-5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide
SMILESCN(C)CCNC(=O)C1CN(c2ncc(F)cn2)Cc2ccnn2C1
InChIInChI=1S/C16H22FN7O/c1-22(2)6-5-18-15(25)12-9-23(16-19-7-13(17)8-20-16)11-14-3-4-21-24(14)10-12/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,18,25)
InChIKeyGVOTWOYKFMEZMI-UHFFFAOYSA-N
XLogP0.13
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide (CID 134076131) is N-[2-(dimethylamino)ethyl]-5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide is CN(C)CCNC(=O)C1CN(c2ncc(F)cn2)Cc2ccnn2C1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
The InChIKey is GVOTWOYKFMEZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN7O/c1-22(2)6-5-18-15(25)12-9-23(16-19-7-13(17)8-20-16)11-14-3-4-21-24(14)10-12/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,18,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide?
N-[2-(dimethylamino)ethyl]-5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide has a molecular weight of 347.40 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-(5-fluoropyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-7-carboxamide is sourced from PubChem (CID 134076131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).