[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol

C21H25N7O — CID 91798021

IUPAC[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol
SMILESCc1ccc2nc(CN3CCCn4nc(C(O)c5ccnn5C)cc4C3)cn2c1
InChIInChI=1S/C21H25N7O/c1-15-4-5-20-23-16(13-27(20)11-15)12-26-8-3-9-28-17(14-26)10-18(24-28)21(29)19-6-7-22-25(19)2/h4-7,10-11,13,21,29H,3,8-9,12,14H2,1-2H3
InChIKeyWTJSTQLWIYUQJX-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.06
Rot. Bonds4

About [5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol

[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol (PubChem CID 91798021) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is [5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol
PubChem CID91798021
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol
SMILESCc1ccc2nc(CN3CCCn4nc(C(O)c5ccnn5C)cc4C3)cn2c1
InChIInChI=1S/C21H25N7O/c1-15-4-5-20-23-16(13-27(20)11-15)12-26-8-3-9-28-17(14-26)10-18(24-28)21(29)19-6-7-22-25(19)2/h4-7,10-11,13,21,29H,3,8-9,12,14H2,1-2H3
InChIKeyWTJSTQLWIYUQJX-UHFFFAOYSA-N
XLogP2.06
TPSA76.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol with MolForge

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Related Compounds

(2-methylpyrazol-3-yl)-[5-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 91773026
[5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(2-methylpyrazol-3-yl)methanol
CID 91786319
[5-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(2-methylpyrazol-3-yl)methanol
CID 91783499
1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-pyrrol-1-ylethanone
CID 91774118
[5-(1,4-dithiepan-6-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol
CID 90652447
[5-(5-ethylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol
CID 91784175
[5-[2-(3,4-dimethylphenoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(2-methylpyrazol-3-yl)methanol
CID 91787215
1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-thiophen-3-ylethanone
CID 91783511
N-cyclopentyl-2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 91767868
2-(3,5-dimethylpyrazol-1-yl)-1-[2-[hydroxy-(2-methylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 91767864
(S)-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-phenylmethanol
CID 99994599
4-[[2-(1,2-dihydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]-2-methyl-1H-pyrimidin-6-one
CID 136665005

Frequently Asked Questions

What is the IUPAC name of [5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of [5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol (CID 91798021) is [5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for [5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for [5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol is Cc1ccc2nc(CN3CCCn4nc(C(O)c5ccnn5C)cc4C3)cn2c1.
What is the InChIKey of [5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol?
The InChIKey is WTJSTQLWIYUQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c1-15-4-5-20-23-16(13-27(20)11-15)12-26-8-3-9-28-17(14-26)10-18(24-28)21(29)19-6-7-22-25(19)2/h4-7,10-11,13,21,29H,3,8-9,12,14H2,1-2H3.
What are the key properties of [5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol?
[5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol has a molecular weight of 391.48 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 91798021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).