N-tert-butyl-2-[[2-[6-[tert-butyl-[2-[[2-(4-chloro-2-pyridinyl)-5-oxo-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]acetyl]amino]-4-chloro-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide

C38H44Cl2N10O3 — CID 167209585

IUPACN-tert-butyl-2-[[2-[6-[tert-butyl-[2-[[2-(4-chloro-2-pyridinyl)-5-oxo-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]acetyl]amino]-4-chloro-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)c1nc(-c2cc(Cl)cc(N(C(=O)CN(C)c3nc(-c4cc(Cl)ccn4)nc4c3C(=O)CC4)C(C)(C)C)n2)nc2c1CCC2
InChIInChI=1S/C38H44Cl2N10O3/c1-37(2,3)47-30(52)19-48(7)35-23-10-9-11-24(23)43-34(45-35)27-17-22(40)18-29(42-27)50(38(4,5)6)31(53)20-49(8)36-32-25(12-13-28(32)51)44-33(46-36)26-16-21(39)14-15-41-26/h14-18H,9-13,19-20H2,1-8H3,(H,47,52)
InChIKeyVPCMEIUZXQJNBV-UHFFFAOYSA-N
MW759.74 g/mol
LogP5.93
Rot. Bonds9

About N-tert-butyl-2-[[2-[6-[tert-butyl-[2-[[2-(4-chloro-2-pyridinyl)-5-oxo-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]acetyl]amino]-4-chloro-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide

N-tert-butyl-2-[[2-[6-[tert-butyl-[2-[[2-(4-chloro-2-pyridinyl)-5-oxo-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]acetyl]amino]-4-chloro-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide (PubChem CID 167209585) has the molecular formula C38H44Cl2N10O3 and a molecular weight of 759.74 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-[6-[tert-butyl-[2-[[2-(4-chloro-2-pyridinyl)-5-oxo-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]acetyl]amino]-4-chloro-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-[6-[tert-butyl-[2-[[2-(4-chloro-2-pyridinyl)-5-oxo-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]acetyl]amino]-4-chloro-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
PubChem CID167209585
Molecular FormulaC38H44Cl2N10O3
Molecular Weight759.74 g/mol
Exact Mass758.30
IUPAC NameN-tert-butyl-2-[[2-[6-[tert-butyl-[2-[[2-(4-chloro-2-pyridinyl)-5-oxo-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]acetyl]amino]-4-chloro-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)c1nc(-c2cc(Cl)cc(N(C(=O)CN(C)c3nc(-c4cc(Cl)ccn4)nc4c3C(=O)CC4)C(C)(C)C)n2)nc2c1CCC2
InChIInChI=1S/C38H44Cl2N10O3/c1-37(2,3)47-30(52)19-48(7)35-23-10-9-11-24(23)43-34(45-35)27-17-22(40)18-29(42-27)50(38(4,5)6)31(53)20-49(8)36-32-25(12-13-28(32)51)44-33(46-36)26-16-21(39)14-15-41-26/h14-18H,9-13,19-20H2,1-8H3,(H,47,52)
InChIKeyVPCMEIUZXQJNBV-UHFFFAOYSA-N
XLogP5.93
TPSA150.30 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500759.74
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze N-tert-butyl-2-[[2-[6-[tert-butyl-[2-[[2-(4-chloro-2-pyridinyl)-5-oxo-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]acetyl]amino]-4-chloro-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide with MolForge

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Related Compounds

2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide
CID 157029926
N-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-(2,2,2-trifluoroethyl)amino]acetamide;ethane
CID 157029570
3-[2-[4-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl]propyl N-methylcarbamate
CID 167524611
N-tert-butyl-2-[[2-(4-chloro-2-pyridinyl)-5-hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 157029593
N-tert-butyl-2-[methyl-[2-[4-[[(2R)-oxiran-2-yl]methoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide
CID 157029382
2-[[2-[4-(2-aminoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide
CID 157030249
2-[[2-[4-(2-acetamidoethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-tert-butylacetamide
CID 157030010
N-tert-butyl-2-[methyl-[2-[4-(2-methylsulfonylethoxy)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]amino]acetamide;formic acid
CID 175851841
N-tert-butyl-2-[[2-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 157029740
N-tert-butyl-2-[[2-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide
CID 157029369
[2-[4-[[2-[tert-butyl(methyl)amino]-2-oxoethyl]-methylamino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-4-pyridinyl] hypoiodite
CID 166817085
N-tert-butyl-2-[(2-chloro-5,6,7,8-tetrahydroquinazolin-4-yl)-methylamino]acetamide
CID 157029358

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-[6-[tert-butyl-[2-[[2-(4-chloro-2-pyridinyl)-5-oxo-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]acetyl]amino]-4-chloro-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-[6-[tert-butyl-[2-[[2-(4-chloro-2-pyridinyl)-5-oxo-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]acetyl]amino]-4-chloro-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide (CID 167209585) is N-tert-butyl-2-[[2-[6-[tert-butyl-[2-[[2-(4-chloro-2-pyridinyl)-5-oxo-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]acetyl]amino]-4-chloro-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-[6-[tert-butyl-[2-[[2-(4-chloro-2-pyridinyl)-5-oxo-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]acetyl]amino]-4-chloro-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-[6-[tert-butyl-[2-[[2-(4-chloro-2-pyridinyl)-5-oxo-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]acetyl]amino]-4-chloro-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide is CN(CC(=O)NC(C)(C)C)c1nc(-c2cc(Cl)cc(N(C(=O)CN(C)c3nc(-c4cc(Cl)ccn4)nc4c3C(=O)CC4)C(C)(C)C)n2)nc2c1CCC2.
What is the InChIKey of N-tert-butyl-2-[[2-[6-[tert-butyl-[2-[[2-(4-chloro-2-pyridinyl)-5-oxo-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]acetyl]amino]-4-chloro-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?
The InChIKey is VPCMEIUZXQJNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44Cl2N10O3/c1-37(2,3)47-30(52)19-48(7)35-23-10-9-11-24(23)43-34(45-35)27-17-22(40)18-29(42-27)50(38(4,5)6)31(53)20-49(8)36-32-25(12-13-28(32)51)44-33(46-36)26-16-21(39)14-15-41-26/h14-18H,9-13,19-20H2,1-8H3,(H,47,52).
What are the key properties of N-tert-butyl-2-[[2-[6-[tert-butyl-[2-[[2-(4-chloro-2-pyridinyl)-5-oxo-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]acetyl]amino]-4-chloro-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide?
N-tert-butyl-2-[[2-[6-[tert-butyl-[2-[[2-(4-chloro-2-pyridinyl)-5-oxo-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]acetyl]amino]-4-chloro-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide has a molecular weight of 759.74 g/mol, XLogP of 5.93, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-[6-[tert-butyl-[2-[[2-(4-chloro-2-pyridinyl)-5-oxo-6,7-dihydrocyclopenta[d]pyrimidin-4-yl]-methylamino]acetyl]amino]-4-chloro-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]acetamide is sourced from PubChem (CID 167209585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).