4-[2-[(R)-cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxypyridine-3-carbonitrile

C18H21N5O2 — CID 124680038

IUPAC4-[2-[(R)-cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(N2CCCn3nc([C@H](O)C4CC4)cc3C2)c1C#N
InChIInChI=1S/C18H21N5O2/c1-25-18-14(10-19)16(5-6-20-18)22-7-2-8-23-13(11-22)9-15(21-23)17(24)12-3-4-12/h5-6,9,12,17,24H,2-4,7-8,11H2,1H3/t17-/m1/s1
InChIKeyXLGFGXWVUGDXAM-QGZVFWFLSA-N
MW339.40 g/mol
LogP2.01
Rot. Bonds4

About 4-[2-[(R)-cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxypyridine-3-carbonitrile

4-[2-[(R)-cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxypyridine-3-carbonitrile (PubChem CID 124680038) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[2-[(R)-cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-[(R)-cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxypyridine-3-carbonitrile
PubChem CID124680038
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[2-[(R)-cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(N2CCCn3nc([C@H](O)C4CC4)cc3C2)c1C#N
InChIInChI=1S/C18H21N5O2/c1-25-18-14(10-19)16(5-6-20-18)22-7-2-8-23-13(11-22)9-15(21-23)17(24)12-3-4-12/h5-6,9,12,17,24H,2-4,7-8,11H2,1H3/t17-/m1/s1
InChIKeyXLGFGXWVUGDXAM-QGZVFWFLSA-N
XLogP2.01
TPSA87.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-[(R)-cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxypyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(R)-cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 4-[2-[(R)-cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxypyridine-3-carbonitrile (CID 124680038) is 4-[2-[(R)-cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-[(R)-cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 4-[2-[(R)-cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxypyridine-3-carbonitrile is COc1nccc(N2CCCn3nc([C@H](O)C4CC4)cc3C2)c1C#N.
What is the InChIKey of 4-[2-[(R)-cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxypyridine-3-carbonitrile?
The InChIKey is XLGFGXWVUGDXAM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-25-18-14(10-19)16(5-6-20-18)22-7-2-8-23-13(11-22)9-15(21-23)17(24)12-3-4-12/h5-6,9,12,17,24H,2-4,7-8,11H2,1H3/t17-/m1/s1.
What are the key properties of 4-[2-[(R)-cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxypyridine-3-carbonitrile?
4-[2-[(R)-cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxypyridine-3-carbonitrile has a molecular weight of 339.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(R)-cyclopropyl(hydroxy)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 124680038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).