(1S)-1-[5-[[2-(methylamino)-3-pyridinyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol

C17H25N5O — CID 99973905

IUPAC(1S)-1-[5-[[2-(methylamino)-3-pyridinyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol
SMILESCC[C@H](O)c1cc2n(n1)CCCN(Cc1cccnc1NC)C2
InChIInChI=1S/C17H25N5O/c1-3-16(23)15-10-14-12-21(8-5-9-22(14)20-15)11-13-6-4-7-19-17(13)18-2/h4,6-7,10,16,23H,3,5,8-9,11-12H2,1-2H3,(H,18,19)/t16-/m0/s1
InChIKeyNBELZKBRXBTANW-INIZCTEOSA-N
MW315.42 g/mol
LogP2.17
Rot. Bonds5

About (1S)-1-[5-[[2-(methylamino)-3-pyridinyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol

(1S)-1-[5-[[2-(methylamino)-3-pyridinyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol (PubChem CID 99973905) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (1S)-1-[5-[[2-(methylamino)-3-pyridinyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[5-[[2-(methylamino)-3-pyridinyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol
PubChem CID99973905
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(1S)-1-[5-[[2-(methylamino)-3-pyridinyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol
SMILESCC[C@H](O)c1cc2n(n1)CCCN(Cc1cccnc1NC)C2
InChIInChI=1S/C17H25N5O/c1-3-16(23)15-10-14-12-21(8-5-9-22(14)20-15)11-13-6-4-7-19-17(13)18-2/h4,6-7,10,16,23H,3,5,8-9,11-12H2,1-2H3,(H,18,19)/t16-/m0/s1
InChIKeyNBELZKBRXBTANW-INIZCTEOSA-N
XLogP2.17
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1S)-1-[5-[[2-(methylamino)-3-pyridinyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-pyridin-2-ylsulfanylethanone
CID 90649979
1-[5-[(4-methyl-6-phenylpyrimidin-2-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol
CID 91771597
(R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
CID 99977570
(1R)-1-[5-[(1-benzylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
CID 99974613
3-[2-[2-[(1S)-1-hydroxypropyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one
CID 99970845
3-[2-[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethyl]-1,3-benzoxazol-2-one
CID 91760764
N-methyl-3-(1,4-oxazepan-4-ylmethyl)pyridin-2-amine
CID 62973167
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 90652212
1-[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3,3-dimethylbutane-1,2-dione
CID 91780530
2-(dimethylamino)-1-[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
CID 90653916
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)-N-methylpyridin-2-amine
CID 55145384
1-[5-[[4-(furan-2-yl)phenyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethane-1,2-diol
CID 90648291

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[[2-(methylamino)-3-pyridinyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol?
The IUPAC name of (1S)-1-[5-[[2-(methylamino)-3-pyridinyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol (CID 99973905) is (1S)-1-[5-[[2-(methylamino)-3-pyridinyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol.
What is the SMILES notation for (1S)-1-[5-[[2-(methylamino)-3-pyridinyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol?
The canonical SMILES for (1S)-1-[5-[[2-(methylamino)-3-pyridinyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol is CC[C@H](O)c1cc2n(n1)CCCN(Cc1cccnc1NC)C2.
What is the InChIKey of (1S)-1-[5-[[2-(methylamino)-3-pyridinyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol?
The InChIKey is NBELZKBRXBTANW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N5O/c1-3-16(23)15-10-14-12-21(8-5-9-22(14)20-15)11-13-6-4-7-19-17(13)18-2/h4,6-7,10,16,23H,3,5,8-9,11-12H2,1-2H3,(H,18,19)/t16-/m0/s1.
What are the key properties of (1S)-1-[5-[[2-(methylamino)-3-pyridinyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol?
(1S)-1-[5-[[2-(methylamino)-3-pyridinyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol has a molecular weight of 315.42 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[[2-(methylamino)-3-pyridinyl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]propan-1-ol is sourced from PubChem (CID 99973905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).