1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[5-[[(3R)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanamine

C22H33N5O — CID 98771501

IUPAC1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[5-[[(3R)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanamine
SMILESCCc1ccc(CN(C)Cc2cc3n(n2)CCCN(C[C@H]2CCOC2)C3)nc1
InChIInChI=1S/C22H33N5O/c1-3-18-5-6-20(23-12-18)14-25(2)15-21-11-22-16-26(8-4-9-27(22)24-21)13-19-7-10-28-17-19/h5-6,11-12,19H,3-4,7-10,13-17H2,1-2H3/t19-/m1/s1
InChIKeySPDSBWRRBRQCQJ-LJQANCHMSA-N
MW383.54 g/mol
LogP2.71
Rot. Bonds7

About 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[5-[[(3R)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanamine

1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[5-[[(3R)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanamine (PubChem CID 98771501) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[5-[[(3R)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[5-[[(3R)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanamine
PubChem CID98771501
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[5-[[(3R)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanamine
SMILESCCc1ccc(CN(C)Cc2cc3n(n2)CCCN(C[C@H]2CCOC2)C3)nc1
InChIInChI=1S/C22H33N5O/c1-3-18-5-6-20(23-12-18)14-25(2)15-21-11-22-16-26(8-4-9-27(22)24-21)13-19-7-10-28-17-19/h5-6,11-12,19H,3-4,7-10,13-17H2,1-2H3/t19-/m1/s1
InChIKeySPDSBWRRBRQCQJ-LJQANCHMSA-N
XLogP2.71
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[5-[[(3R)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanamine 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

N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 46954018
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-methoxy-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46954055
N'-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 46954082
N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine
CID 46961974
N-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)ethanamine
CID 46991461
1-[2-(Pyridin-3-YL)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepin-5-YL]ethan-1-one
CID 71686886
N-[(1-methylpyrazol-4-yl)methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 95857700
(4R,4aS,7aS)-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97420799
(4S,4aS,7aS)-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-3-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97421684
(4S,4aS,7aS)-4-methoxy-1-[(1-methylpyrazol-4-yl)methyl]-6-(pyridin-4-ylmethyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine
CID 97421708
5-(2-Methoxyethyl)-7-(pyridin-3-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 118739227
7-(Pyridin-3-ylmethoxymethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 118739234

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[5-[[(3R)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanamine?
The IUPAC name of 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[5-[[(3R)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanamine (CID 98771501) is 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[5-[[(3R)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanamine.
What is the SMILES notation for 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[5-[[(3R)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanamine?
The canonical SMILES for 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[5-[[(3R)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanamine is CCc1ccc(CN(C)Cc2cc3n(n2)CCCN(C[C@H]2CCOC2)C3)nc1.
What is the InChIKey of 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[5-[[(3R)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanamine?
The InChIKey is SPDSBWRRBRQCQJ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H33N5O/c1-3-18-5-6-20(23-12-18)14-25(2)15-21-11-22-16-26(8-4-9-27(22)24-21)13-19-7-10-28-17-19/h5-6,11-12,19H,3-4,7-10,13-17H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[5-[[(3R)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanamine?
1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[5-[[(3R)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanamine has a molecular weight of 383.54 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-pyridinyl)-N-methyl-N-[[5-[[(3R)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]methanamine is sourced from PubChem (CID 98771501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).