4-chloro-7-cyclohexylpyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;bis(7-cyclohexyl-3-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one);7-cyclohexyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

C80H91Cl2F2N17O7 — CID 161228208

IUPAC4-chloro-7-cyclohexylpyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;bis(7-cyclohexyl-3-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one);7-cyclohexyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESClc1ncnc2[nH]ccc12.Clc1ncnc2c1ccn2C1CCCCC1.O=C(c1ccc(F)cc1)N1CCC(O)(Cn2cnc3c(ccn3C3CCCCC3)c2=O)CC1.O=C(c1ccc(F)cc1)N1CCC(O)(Cn2cnc3c(ccn3C3CCCCC3)c2=O)CC1.O=c1[nH]cnc2c1ccn2C1CCCCC1
InChIInChI=1S/2C25H29FN4O3.C12H14ClN3.C12H15N3O.C6H4ClN3/c2*26-19-8-6-18(7-9-19)23(31)28-14-11-25(33,12-15-28)16-29-17-27-22-21(24(29)32)10-13-30(22)20-4-2-1-3-5-20;13-11-10-6-7-16(12(10)15-8-14-11)9-4-2-1-3-5-9;16-12-10-6-7-15(11(10)13-8-14-12)9-4-2-1-3-5-9;7-5-4-1-2-8-6(4)10-3-9-5/h2*6-10,13,17,20,33H,1-5,11-12,14-16H2;6-9H,1-5H2;6-9H,1-5H2,(H,13,14,16);1-3H,(H,8,9,10)
InChIKeyUYKCDIYWDHNMDK-UHFFFAOYSA-N
MW1511.62 g/mol
LogP14.45
Rot. Bonds10

About 4-chloro-7-cyclohexylpyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;bis(7-cyclohexyl-3-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one);7-cyclohexyl-3H-pyrrolo[2,3-d]pyrimidin-4-one

4-chloro-7-cyclohexylpyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;bis(7-cyclohexyl-3-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one);7-cyclohexyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 161228208) has the molecular formula C80H91Cl2F2N17O7 and a molecular weight of 1511.62 g/mol. Its IUPAC name is 4-chloro-7-cyclohexylpyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;bis(7-cyclohexyl-3-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one);7-cyclohexyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name4-chloro-7-cyclohexylpyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;bis(7-cyclohexyl-3-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one);7-cyclohexyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID161228208
Molecular FormulaC80H91Cl2F2N17O7
Molecular Weight1511.62 g/mol
Exact Mass1509.66
IUPAC Name4-chloro-7-cyclohexylpyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;bis(7-cyclohexyl-3-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one);7-cyclohexyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESClc1ncnc2[nH]ccc12.Clc1ncnc2c1ccn2C1CCCCC1.O=C(c1ccc(F)cc1)N1CCC(O)(Cn2cnc3c(ccn3C3CCCCC3)c2=O)CC1.O=C(c1ccc(F)cc1)N1CCC(O)(Cn2cnc3c(ccn3C3CCCCC3)c2=O)CC1.O=c1[nH]cnc2c1ccn2C1CCCCC1
InChIInChI=1S/2C25H29FN4O3.C12H14ClN3.C12H15N3O.C6H4ClN3/c2*26-19-8-6-18(7-9-19)23(31)28-14-11-25(33,12-15-28)16-29-17-27-22-21(24(29)32)10-13-30(22)20-4-2-1-3-5-20;13-11-10-6-7-16(12(10)15-8-14-11)9-4-2-1-3-5-9;16-12-10-6-7-15(11(10)13-8-14-12)9-4-2-1-3-5-9;7-5-4-1-2-8-6(4)10-3-9-5/h2*6-10,13,17,20,33H,1-5,11-12,14-16H2;6-9H,1-5H2;6-9H,1-5H2,(H,13,14,16);1-3H,(H,8,9,10)
InChIKeyUYKCDIYWDHNMDK-UHFFFAOYSA-N
XLogP14.45
TPSA283.68 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds10
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001511.62
LogP ≤ 514.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 4-chloro-7-cyclohexylpyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;bis(7-cyclohexyl-3-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one);7-cyclohexyl-3H-pyrrolo[2,3-d]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-cyclohexylpyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;bis(7-cyclohexyl-3-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one);7-cyclohexyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 4-chloro-7-cyclohexylpyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;bis(7-cyclohexyl-3-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one);7-cyclohexyl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 161228208) is 4-chloro-7-cyclohexylpyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;bis(7-cyclohexyl-3-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one);7-cyclohexyl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 4-chloro-7-cyclohexylpyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;bis(7-cyclohexyl-3-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one);7-cyclohexyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 4-chloro-7-cyclohexylpyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;bis(7-cyclohexyl-3-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one);7-cyclohexyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is Clc1ncnc2[nH]ccc12.Clc1ncnc2c1ccn2C1CCCCC1.O=C(c1ccc(F)cc1)N1CCC(O)(Cn2cnc3c(ccn3C3CCCCC3)c2=O)CC1.O=C(c1ccc(F)cc1)N1CCC(O)(Cn2cnc3c(ccn3C3CCCCC3)c2=O)CC1.O=c1[nH]cnc2c1ccn2C1CCCCC1.
What is the InChIKey of 4-chloro-7-cyclohexylpyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;bis(7-cyclohexyl-3-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one);7-cyclohexyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is UYKCDIYWDHNMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H29FN4O3.C12H14ClN3.C12H15N3O.C6H4ClN3/c2*26-19-8-6-18(7-9-19)23(31)28-14-11-25(33,12-15-28)16-29-17-27-22-21(24(29)32)10-13-30(22)20-4-2-1-3-5-20;13-11-10-6-7-16(12(10)15-8-14-11)9-4-2-1-3-5-9;16-12-10-6-7-15(11(10)13-8-14-12)9-4-2-1-3-5-9;7-5-4-1-2-8-6(4)10-3-9-5/h2*6-10,13,17,20,33H,1-5,11-12,14-16H2;6-9H,1-5H2;6-9H,1-5H2,(H,13,14,16);1-3H,(H,8,9,10).
What are the key properties of 4-chloro-7-cyclohexylpyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;bis(7-cyclohexyl-3-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one);7-cyclohexyl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
4-chloro-7-cyclohexylpyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;bis(7-cyclohexyl-3-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one);7-cyclohexyl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 1511.62 g/mol, XLogP of 14.45, 10 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-cyclohexylpyrrolo[2,3-d]pyrimidine;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;bis(7-cyclohexyl-3-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-4-one);7-cyclohexyl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 161228208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).