ethane;[4-[5-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholin-2-yl]methanamine

C25H33N7O2 — CID 143698271

IUPACethane;[4-[5-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholin-2-yl]methanamine
SMILESCC.NCC1CN(c2ncnc3[nH]cc(-c4cnn(CCOCc5ccccc5)c4)c23)CCO1
InChIInChI=1S/C23H27N7O2.C2H6/c24-10-19-14-29(6-9-32-19)23-21-20(12-25-22(21)26-16-27-23)18-11-28-30(13-18)7-8-31-15-17-4-2-1-3-5-17;1-2/h1-5,11-13,16,19H,6-10,14-15,24H2,(H,25,26,27);1-2H3
InChIKeyQQXHVFIMPZEKGP-UHFFFAOYSA-N
MW463.59 g/mol
LogP3.23
Rot. Bonds8

About ethane;[4-[5-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholin-2-yl]methanamine

ethane;[4-[5-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholin-2-yl]methanamine (PubChem CID 143698271) has the molecular formula C25H33N7O2 and a molecular weight of 463.59 g/mol. Its IUPAC name is ethane;[4-[5-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Nameethane;[4-[5-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholin-2-yl]methanamine
PubChem CID143698271
Molecular FormulaC25H33N7O2
Molecular Weight463.59 g/mol
Exact Mass463.27
IUPAC Nameethane;[4-[5-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholin-2-yl]methanamine
SMILESCC.NCC1CN(c2ncnc3[nH]cc(-c4cnn(CCOCc5ccccc5)c4)c23)CCO1
InChIInChI=1S/C23H27N7O2.C2H6/c24-10-19-14-29(6-9-32-19)23-21-20(12-25-22(21)26-16-27-23)18-11-28-30(13-18)7-8-31-15-17-4-2-1-3-5-17;1-2/h1-5,11-13,16,19H,6-10,14-15,24H2,(H,25,26,27);1-2H3
InChIKeyQQXHVFIMPZEKGP-UHFFFAOYSA-N
XLogP3.23
TPSA107.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.59
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

PF-06454589
CID 72706837
4-[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine
CID 24875373
[3-[4-[2-(aminomethyl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]methanol
CID 25068614
3-(4-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 146274585
2-phenyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)morpholine
CID 137634287
3-(3-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 166626239
1-[2-amino-6-[5-(1-propan-2-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-4-yl]-1-phenylethanol
CID 44595130
3-[4-[2-(1H-pyrazol-5-yl)morpholin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
CID 72707080
4-[5-(1-ethylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 89914535
(2R)-2-methyl-4-[5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 89914603
(2S)-2-methyl-4-[5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 89914807
N,N-dimethyl-2-[(4-pyrazolo[1,5-b]pyridazin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)methoxy]ethanamine;formic acid
CID 138491189

Frequently Asked Questions

What is the IUPAC name of ethane;[4-[5-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholin-2-yl]methanamine?
The IUPAC name of ethane;[4-[5-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholin-2-yl]methanamine (CID 143698271) is ethane;[4-[5-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholin-2-yl]methanamine.
What is the SMILES notation for ethane;[4-[5-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholin-2-yl]methanamine?
The canonical SMILES for ethane;[4-[5-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholin-2-yl]methanamine is CC.NCC1CN(c2ncnc3[nH]cc(-c4cnn(CCOCc5ccccc5)c4)c23)CCO1.
What is the InChIKey of ethane;[4-[5-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholin-2-yl]methanamine?
The InChIKey is QQXHVFIMPZEKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O2.C2H6/c24-10-19-14-29(6-9-32-19)23-21-20(12-25-22(21)26-16-27-23)18-11-28-30(13-18)7-8-31-15-17-4-2-1-3-5-17;1-2/h1-5,11-13,16,19H,6-10,14-15,24H2,(H,25,26,27);1-2H3.
What are the key properties of ethane;[4-[5-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholin-2-yl]methanamine?
ethane;[4-[5-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholin-2-yl]methanamine has a molecular weight of 463.59 g/mol, XLogP of 3.23, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-[5-[1-(2-phenylmethoxyethyl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholin-2-yl]methanamine is sourced from PubChem (CID 143698271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).