N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide

C18H22N4O2 — CID 70704686

IUPACN-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NCc1cc2n(n1)CCCNC2)C1CCc2ccccc2O1
InChIInChI=1S/C18H22N4O2/c23-18(17-7-6-13-4-1-2-5-16(13)24-17)20-11-14-10-15-12-19-8-3-9-22(15)21-14/h1-2,4-5,10,17,19H,3,6-9,11-12H2,(H,20,23)
InChIKeyNFMWBTAUOJOJDL-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.39
Rot. Bonds3

About N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide

N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 70704686) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID70704686
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(NCc1cc2n(n1)CCCNC2)C1CCc2ccccc2O1
InChIInChI=1S/C18H22N4O2/c23-18(17-7-6-13-4-1-2-5-16(13)24-17)20-11-14-10-15-12-19-8-3-9-22(15)21-14/h1-2,4-5,10,17,19H,3,6-9,11-12H2,(H,20,23)
InChIKeyNFMWBTAUOJOJDL-UHFFFAOYSA-N
XLogP1.39
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propanamide;hydrochloride
CID 154897119
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 121196035
2-(2-chlorophenoxy)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)acetamide;hydrochloride
CID 154895981
3-(1H-imidazol-2-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)benzamide;dihydrochloride
CID 154900753
N-[[2-(2-oxopyrrolidin-1-yl)-4-pyridinyl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 122246123
N-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 90651021
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 95125986
2-(4-phenylpiperidin-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)acetamide;dihydrochloride
CID 154897139
N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 95876895
4-(4-oxoquinazolin-3-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)butanamide
CID 70748957
8-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 74244774
N-methyl-2-phenyl-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)ethanamine
CID 56901570

Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide (CID 70704686) is N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide is O=C(NCc1cc2n(n1)CCCNC2)C1CCc2ccccc2O1.
What is the InChIKey of N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is NFMWBTAUOJOJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(17-7-6-13-4-1-2-5-16(13)24-17)20-11-14-10-15-12-19-8-3-9-22(15)21-14/h1-2,4-5,10,17,19H,3,6-9,11-12H2,(H,20,23).
What are the key properties of N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide?
N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 70704686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).