N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide

C18H23N5O2 — CID 53165214

IUPACN-(oxolan-2-ylmethyl)-2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
SMILESO=C(NCC1CCCO1)N1CCCn2nc(-c3cccnc3)cc2C1
InChIInChI=1S/C18H23N5O2/c24-18(20-12-16-5-2-9-25-16)22-7-3-8-23-15(13-22)10-17(21-23)14-4-1-6-19-11-14/h1,4,6,10-11,16H,2-3,5,7-9,12-13H2,(H,20,24)
InChIKeyFHAYFTJEMCLLGH-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.04
Rot. Bonds3

About N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide

N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide (PubChem CID 53165214) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
PubChem CID53165214
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC NameN-(oxolan-2-ylmethyl)-2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
SMILESO=C(NCC1CCCO1)N1CCCn2nc(-c3cccnc3)cc2C1
InChIInChI=1S/C18H23N5O2/c24-18(20-12-16-5-2-9-25-16)22-7-3-8-23-15(13-22)10-17(21-23)14-4-1-6-19-11-14/h1,4,6,10-11,16H,2-3,5,7-9,12-13H2,(H,20,24)
InChIKeyFHAYFTJEMCLLGH-UHFFFAOYSA-N
XLogP2.04
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide (CID 53165214) is N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide is O=C(NCC1CCCO1)N1CCCn2nc(-c3cccnc3)cc2C1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
The InChIKey is FHAYFTJEMCLLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-18(20-12-16-5-2-9-25-16)22-7-3-8-23-15(13-22)10-17(21-23)14-4-1-6-19-11-14/h1,4,6,10-11,16H,2-3,5,7-9,12-13H2,(H,20,24).
What are the key properties of N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide?
N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-pyridin-3-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide is sourced from PubChem (CID 53165214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).