[(7R)-4-(5-methoxy-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-(3-phenylpyrazolo[1,5-a]pyridin-2-yl)methanone

C26H27N5O2 — CID 170965323

IUPAC[(7R)-4-(5-methoxy-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-(3-phenylpyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESCOc1ccc(N2CC[C@@H](C)N(C(=O)c3nn4ccccc4c3-c3ccccc3)CC2)nc1
InChIInChI=1S/C26H27N5O2/c1-19-13-15-29(23-12-11-21(33-2)18-27-23)16-17-30(19)26(32)25-24(20-8-4-3-5-9-20)22-10-6-7-14-31(22)28-25/h3-12,14,18-19H,13,15-17H2,1-2H3/t19-/m1/s1
InChIKeyZMTAMAMRZMONEJ-LJQANCHMSA-N
MW441.54 g/mol
LogP4.15
Rot. Bonds4

About [(7R)-4-(5-methoxy-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-(3-phenylpyrazolo[1,5-a]pyridin-2-yl)methanone

[(7R)-4-(5-methoxy-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-(3-phenylpyrazolo[1,5-a]pyridin-2-yl)methanone (PubChem CID 170965323) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is [(7R)-4-(5-methoxy-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-(3-phenylpyrazolo[1,5-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[(7R)-4-(5-methoxy-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-(3-phenylpyrazolo[1,5-a]pyridin-2-yl)methanone
PubChem CID170965323
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name[(7R)-4-(5-methoxy-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-(3-phenylpyrazolo[1,5-a]pyridin-2-yl)methanone
SMILESCOc1ccc(N2CC[C@@H](C)N(C(=O)c3nn4ccccc4c3-c3ccccc3)CC2)nc1
InChIInChI=1S/C26H27N5O2/c1-19-13-15-29(23-12-11-21(33-2)18-27-23)16-17-30(19)26(32)25-24(20-8-4-3-5-9-20)22-10-6-7-14-31(22)28-25/h3-12,14,18-19H,13,15-17H2,1-2H3/t19-/m1/s1
InChIKeyZMTAMAMRZMONEJ-LJQANCHMSA-N
XLogP4.15
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

[(7R)-7-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]-(2-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 170965321
benzyl (7R)-4-(4-methoxy-2-pyridinyl)-7-methyl-1,4-diazepane-1-carboxylate
CID 121371685
methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
CID 90086503
methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate
CID 106504838
N-[1-[5-[2-(4-methoxyphenyl)phenyl]-2-pyridinyl]piperidin-4-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 172890771
1-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-2-methyl-3-quinoxalin-2-ylpropan-1-one
CID 136547047
[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone
CID 95872818
1-(5-methoxy-2-pyridinyl)piperazine-2-carboxylic acid
CID 106504446
(3,5-dimethyloxolan-2-yl)-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone
CID 136547051
5-fluoro-N-[6-[4-(4-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-2-phenyl-1H-imidazole-4-carboxamide
CID 147102634
3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one
CID 95889415
3-imidazo[1,2-a]pyridin-2-yl-1-[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one
CID 95889414

Frequently Asked Questions

What is the IUPAC name of [(7R)-4-(5-methoxy-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-(3-phenylpyrazolo[1,5-a]pyridin-2-yl)methanone?
The IUPAC name of [(7R)-4-(5-methoxy-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-(3-phenylpyrazolo[1,5-a]pyridin-2-yl)methanone (CID 170965323) is [(7R)-4-(5-methoxy-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-(3-phenylpyrazolo[1,5-a]pyridin-2-yl)methanone.
What is the SMILES notation for [(7R)-4-(5-methoxy-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-(3-phenylpyrazolo[1,5-a]pyridin-2-yl)methanone?
The canonical SMILES for [(7R)-4-(5-methoxy-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-(3-phenylpyrazolo[1,5-a]pyridin-2-yl)methanone is COc1ccc(N2CC[C@@H](C)N(C(=O)c3nn4ccccc4c3-c3ccccc3)CC2)nc1.
What is the InChIKey of [(7R)-4-(5-methoxy-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-(3-phenylpyrazolo[1,5-a]pyridin-2-yl)methanone?
The InChIKey is ZMTAMAMRZMONEJ-LJQANCHMSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-19-13-15-29(23-12-11-21(33-2)18-27-23)16-17-30(19)26(32)25-24(20-8-4-3-5-9-20)22-10-6-7-14-31(22)28-25/h3-12,14,18-19H,13,15-17H2,1-2H3/t19-/m1/s1.
What are the key properties of [(7R)-4-(5-methoxy-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-(3-phenylpyrazolo[1,5-a]pyridin-2-yl)methanone?
[(7R)-4-(5-methoxy-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-(3-phenylpyrazolo[1,5-a]pyridin-2-yl)methanone has a molecular weight of 441.54 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-4-(5-methoxy-2-pyridinyl)-7-methyl-1,4-diazepan-1-yl]-(3-phenylpyrazolo[1,5-a]pyridin-2-yl)methanone is sourced from PubChem (CID 170965323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).