tert-butyl N-[3-(6-ethyl-4-oxo-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-yl)propyl]carbamate

C18H29N5O3 — CID 145044665

IUPACtert-butyl N-[3-(6-ethyl-4-oxo-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-yl)propyl]carbamate
SMILESCCc1nc2c(cnn2C(C)C)c(=O)n1CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C18H29N5O3/c1-7-14-21-15-13(11-20-23(15)12(2)3)16(24)22(14)10-8-9-19-17(25)26-18(4,5)6/h11-12H,7-10H2,1-6H3,(H,19,25)
InChIKeyMGJHTWJYOSSBHO-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.65
Rot. Bonds6

About tert-butyl N-[3-(6-ethyl-4-oxo-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-yl)propyl]carbamate

tert-butyl N-[3-(6-ethyl-4-oxo-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-yl)propyl]carbamate (PubChem CID 145044665) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl N-[3-(6-ethyl-4-oxo-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(6-ethyl-4-oxo-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-yl)propyl]carbamate
PubChem CID145044665
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Nametert-butyl N-[3-(6-ethyl-4-oxo-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-yl)propyl]carbamate
SMILESCCc1nc2c(cnn2C(C)C)c(=O)n1CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C18H29N5O3/c1-7-14-21-15-13(11-20-23(15)12(2)3)16(24)22(14)10-8-9-19-17(25)26-18(4,5)6/h11-12H,7-10H2,1-6H3,(H,19,25)
InChIKeyMGJHTWJYOSSBHO-UHFFFAOYSA-N
XLogP2.65
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[3-(5,11-dioxoindeno[1,2-c][2,6]naphthyridin-6-yl)propyl]carbamate
CID 155070258
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CID 38714330
tert-butyl N-[[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]methyl]carbamate
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tert-butyl N-(3-pyrazol-1-ylpropyl)carbamate
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tert-butyl N-[3-(2,7-dibromocarbazol-9-yl)propyl]carbamate
CID 90220378
tert-butyl N-[3-methyl-1-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butan-2-yl]carbamate
CID 86956659
tert-butyl N-[2-[2-[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]ethylamino]ethyl]carbamate
CID 118958752
tert-butyl N-[4-(7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)butyl]carbamate
CID 86593760
N-pentyl-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 24512488
tert-butyl N-[4-[2-(chloromethyl)-5,6-dihydrobenzimidazol-1-yl]butyl]carbamate;ethane
CID 177189179
CID 154687839
CID 154687839
1-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyrazole-4-carboxylic acid
CID 162677574

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(6-ethyl-4-oxo-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-(6-ethyl-4-oxo-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-yl)propyl]carbamate (CID 145044665) is tert-butyl N-[3-(6-ethyl-4-oxo-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(6-ethyl-4-oxo-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(6-ethyl-4-oxo-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-yl)propyl]carbamate is CCc1nc2c(cnn2C(C)C)c(=O)n1CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(6-ethyl-4-oxo-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-yl)propyl]carbamate?
The InChIKey is MGJHTWJYOSSBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-7-14-21-15-13(11-20-23(15)12(2)3)16(24)22(14)10-8-9-19-17(25)26-18(4,5)6/h11-12H,7-10H2,1-6H3,(H,19,25).
What are the key properties of tert-butyl N-[3-(6-ethyl-4-oxo-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-yl)propyl]carbamate?
tert-butyl N-[3-(6-ethyl-4-oxo-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-yl)propyl]carbamate has a molecular weight of 363.46 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(6-ethyl-4-oxo-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-5-yl)propyl]carbamate is sourced from PubChem (CID 145044665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).