tert-butyl N-[[4-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]carbamate

C24H32N8O2 — CID 140580364

IUPACtert-butyl N-[[4-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]carbamate
SMILESCC[C@@H]1c2nnc(C)n2-c2cnc(-c3ccncc3CNC(=O)OC(C)(C)C)nc2N1C(C)C
InChIInChI=1S/C24H32N8O2/c1-8-18-22-30-29-15(4)32(22)19-13-26-20(28-21(19)31(18)14(2)3)17-9-10-25-11-16(17)12-27-23(33)34-24(5,6)7/h9-11,13-14,18H,8,12H2,1-7H3,(H,27,33)/t18-/m1/s1
InChIKeyGSDJVHBQRBLSMM-GOSISDBHSA-N
MW464.57 g/mol
LogP4.13
Rot. Bonds5

About tert-butyl N-[[4-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]carbamate

tert-butyl N-[[4-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]carbamate (PubChem CID 140580364) has the molecular formula C24H32N8O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is tert-butyl N-[[4-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]carbamate
PubChem CID140580364
Molecular FormulaC24H32N8O2
Molecular Weight464.57 g/mol
Exact Mass464.26
IUPAC Nametert-butyl N-[[4-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]carbamate
SMILESCC[C@@H]1c2nnc(C)n2-c2cnc(-c3ccncc3CNC(=O)OC(C)(C)C)nc2N1C(C)C
InChIInChI=1S/C24H32N8O2/c1-8-18-22-30-29-15(4)32(22)19-13-26-20(28-21(19)31(18)14(2)3)17-9-10-25-11-16(17)12-27-23(33)34-24(5,6)7/h9-11,13-14,18H,8,12H2,1-7H3,(H,27,33)/t18-/m1/s1
InChIKeyGSDJVHBQRBLSMM-GOSISDBHSA-N
XLogP4.13
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[[4-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

[4-(7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl)-3-pyridinyl]methylcarbamic acid
CID 70922068
tert-butyl N-[[4-(5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl)-3-pyridinyl]methyl]carbamate
CID 77406461
tert-butyl N-[4-ethyl-1-methyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridin-5-yl]carbamate
CID 67500128
(4R)-7-[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979848
tert-butyl N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]carbamate
CID 56770463
tert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate
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tert-butyl N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate
CID 71124077
tert-butyl N-[3-methyl-2-[[(4-methyl-3-pyridinyl)methylamino]methyl]butyl]carbamate
CID 107442879
tert-butyl N-[2-(4-methyl-3-pyridinyl)-2-oxoethyl]carbamate
CID 165468430
tert-butyl N-[2-methyl-2-[(4-methyl-3-pyridinyl)methylamino]propyl]carbamate
CID 107249231
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]carbamate (CID 140580364) is tert-butyl N-[[4-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]carbamate is CC[C@@H]1c2nnc(C)n2-c2cnc(-c3ccncc3CNC(=O)OC(C)(C)C)nc2N1C(C)C.
What is the InChIKey of tert-butyl N-[[4-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]carbamate?
The InChIKey is GSDJVHBQRBLSMM-GOSISDBHSA-N. The full InChI is InChI=1S/C24H32N8O2/c1-8-18-22-30-29-15(4)32(22)19-13-26-20(28-21(19)31(18)14(2)3)17-9-10-25-11-16(17)12-27-23(33)34-24(5,6)7/h9-11,13-14,18H,8,12H2,1-7H3,(H,27,33)/t18-/m1/s1.
What are the key properties of tert-butyl N-[[4-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]carbamate?
tert-butyl N-[[4-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]carbamate has a molecular weight of 464.57 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[(4R)-4-ethyl-1-methyl-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]-3-pyridinyl]methyl]carbamate is sourced from PubChem (CID 140580364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).