tert-butyl 4-[4-[[[(2S,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methylmorpholin-2-yl]methylamino]methyl]phenyl]piperazine-1-carboxylate

C30H39N7O3 — CID 146443011

IUPACtert-butyl 4-[4-[[[(2S,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methylmorpholin-2-yl]methylamino]methyl]phenyl]piperazine-1-carboxylate
SMILESC[C@@H]1CN(c2ccc(C#N)n3nccc23)C[C@H](CNCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)O1
InChIInChI=1S/C30H39N7O3/c1-22-20-36(27-10-9-25(17-31)37-28(27)11-12-33-37)21-26(39-22)19-32-18-23-5-7-24(8-6-23)34-13-15-35(16-14-34)29(38)40-30(2,3)4/h5-12,22,26,32H,13-16,18-21H2,1-4H3/t22-,26+/m1/s1
InChIKeyLHCQOWUYWGNQCG-GJZUVCINSA-N
MW545.69 g/mol
LogP3.65
Rot. Bonds6

About tert-butyl 4-[4-[[[(2S,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methylmorpholin-2-yl]methylamino]methyl]phenyl]piperazine-1-carboxylate

tert-butyl 4-[4-[[[(2S,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methylmorpholin-2-yl]methylamino]methyl]phenyl]piperazine-1-carboxylate (PubChem CID 146443011) has the molecular formula C30H39N7O3 and a molecular weight of 545.69 g/mol. Its IUPAC name is tert-butyl 4-[4-[[[(2S,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methylmorpholin-2-yl]methylamino]methyl]phenyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[[[(2S,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methylmorpholin-2-yl]methylamino]methyl]phenyl]piperazine-1-carboxylate
PubChem CID146443011
Molecular FormulaC30H39N7O3
Molecular Weight545.69 g/mol
Exact Mass545.31
IUPAC Nametert-butyl 4-[4-[[[(2S,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methylmorpholin-2-yl]methylamino]methyl]phenyl]piperazine-1-carboxylate
SMILESC[C@@H]1CN(c2ccc(C#N)n3nccc23)C[C@H](CNCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)O1
InChIInChI=1S/C30H39N7O3/c1-22-20-36(27-10-9-25(17-31)37-28(27)11-12-33-37)21-26(39-22)19-32-18-23-5-7-24(8-6-23)34-13-15-35(16-14-34)29(38)40-30(2,3)4/h5-12,22,26,32H,13-16,18-21H2,1-4H3/t22-,26+/m1/s1
InChIKeyLHCQOWUYWGNQCG-GJZUVCINSA-N
XLogP3.65
TPSA98.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.69
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze tert-butyl 4-[4-[[[(2S,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methylmorpholin-2-yl]methylamino]methyl]phenyl]piperazine-1-carboxylate 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

4-[(2R,6S)-2-methyl-6-[(5-piperazin-1-yl-1,3-dihydroisoindol-2-yl)methyl]morpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 146442918
tert-butyl 7-[[4-[6-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-8-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl]piperazin-1-yl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 162714951
2-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid;2,2-dimethylbutane
CID 155708037
4-[(2S,6R)-2-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 146444031
4-[(2R,6S)-2-methyl-6-[(4-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]morpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 166995273
4-[(2S,6R)-2-[(2-benzylpiperazin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 146443997
tert-butyl 4-[4-[(4-chlorophenyl)methylamino]phenyl]piperazine-1-carboxylate
CID 162652866
tert-butyl (3R,4S)-3-[[2-[4-(8-cyanoquinolin-5-yl)-6-methylmorpholin-2-yl]acetyl]amino]-4-fluoropiperidine-1-carboxylate
CID 147897164
4-[(3S,5S)-3-[(3S)-3-amino-2-oxobutyl]-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 163463321
tert-butyl 4-(1-methylindazol-6-yl)piperazine-1-carboxylate;ethane
CID 142622902
tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate
CID 24730238
4-chloro-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile;4-chloropyrazolo[1,5-a]pyridine-7-carbonitrile;[(2R,6R)-4-(7-cyano-3-fluoropyrazolo[1,5-a]pyridin-4-yl)-6-methylmorpholin-2-yl]methyl trifluoromethanesulfonate;3-fluoro-4-[(2R,6R)-2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile;[(2R,6R)-6-methyloxan-2-yl]methanol
CID 161417884

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[[[(2S,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methylmorpholin-2-yl]methylamino]methyl]phenyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[[[(2S,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methylmorpholin-2-yl]methylamino]methyl]phenyl]piperazine-1-carboxylate (CID 146443011) is tert-butyl 4-[4-[[[(2S,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methylmorpholin-2-yl]methylamino]methyl]phenyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[[[(2S,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methylmorpholin-2-yl]methylamino]methyl]phenyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[[[(2S,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methylmorpholin-2-yl]methylamino]methyl]phenyl]piperazine-1-carboxylate is C[C@@H]1CN(c2ccc(C#N)n3nccc23)C[C@H](CNCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)O1.
What is the InChIKey of tert-butyl 4-[4-[[[(2S,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methylmorpholin-2-yl]methylamino]methyl]phenyl]piperazine-1-carboxylate?
The InChIKey is LHCQOWUYWGNQCG-GJZUVCINSA-N. The full InChI is InChI=1S/C30H39N7O3/c1-22-20-36(27-10-9-25(17-31)37-28(27)11-12-33-37)21-26(39-22)19-32-18-23-5-7-24(8-6-23)34-13-15-35(16-14-34)29(38)40-30(2,3)4/h5-12,22,26,32H,13-16,18-21H2,1-4H3/t22-,26+/m1/s1.
What are the key properties of tert-butyl 4-[4-[[[(2S,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methylmorpholin-2-yl]methylamino]methyl]phenyl]piperazine-1-carboxylate?
tert-butyl 4-[4-[[[(2S,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methylmorpholin-2-yl]methylamino]methyl]phenyl]piperazine-1-carboxylate has a molecular weight of 545.69 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[[[(2S,6R)-4-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-6-methylmorpholin-2-yl]methylamino]methyl]phenyl]piperazine-1-carboxylate is sourced from PubChem (CID 146443011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).