3-[ethyl-[3-ethyl-7-[[6-[2,2,3,3-tetramethyl-4-(2,2,4,4-tetramethyl-5-piperidin-4-yloxypentoxy)butoxy]-3-pyridinyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pentan-1-ol

C43H73N7O4 — CID 171081131

IUPAC3-[ethyl-[3-ethyl-7-[[6-[2,2,3,3-tetramethyl-4-(2,2,4,4-tetramethyl-5-piperidin-4-yloxypentoxy)butoxy]-3-pyridinyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pentan-1-ol
SMILESCCc1cnn2c(NCc3ccc(OCC(C)(C)C(C)(C)COCC(C)(C)CC(C)(C)COC4CCNCC4)nc3)cc(N(CC)C(CC)CCO)nc12
InChIInChI=1S/C43H73N7O4/c1-12-33-26-47-50-36(23-37(48-39(33)50)49(14-3)34(13-2)19-22-51)45-24-32-15-16-38(46-25-32)54-31-43(10,11)42(8,9)30-52-28-40(4,5)27-41(6,7)29-53-35-17-20-44-21-18-35/h15-16,23,25-26,34-35,44-45,51H,12-14,17-22,24,27-31H2,1-11H3
InChIKeyKCJCIXQSFKLHDQ-UHFFFAOYSA-N
MW752.10 g/mol
LogP7.95
Rot. Bonds23

About 3-[ethyl-[3-ethyl-7-[[6-[2,2,3,3-tetramethyl-4-(2,2,4,4-tetramethyl-5-piperidin-4-yloxypentoxy)butoxy]-3-pyridinyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pentan-1-ol

3-[ethyl-[3-ethyl-7-[[6-[2,2,3,3-tetramethyl-4-(2,2,4,4-tetramethyl-5-piperidin-4-yloxypentoxy)butoxy]-3-pyridinyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pentan-1-ol (PubChem CID 171081131) has the molecular formula C43H73N7O4 and a molecular weight of 752.10 g/mol. Its IUPAC name is 3-[ethyl-[3-ethyl-7-[[6-[2,2,3,3-tetramethyl-4-(2,2,4,4-tetramethyl-5-piperidin-4-yloxypentoxy)butoxy]-3-pyridinyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pentan-1-ol.

Molecular Properties

Compound Name3-[ethyl-[3-ethyl-7-[[6-[2,2,3,3-tetramethyl-4-(2,2,4,4-tetramethyl-5-piperidin-4-yloxypentoxy)butoxy]-3-pyridinyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pentan-1-ol
PubChem CID171081131
Molecular FormulaC43H73N7O4
Molecular Weight752.10 g/mol
Exact Mass751.57
IUPAC Name3-[ethyl-[3-ethyl-7-[[6-[2,2,3,3-tetramethyl-4-(2,2,4,4-tetramethyl-5-piperidin-4-yloxypentoxy)butoxy]-3-pyridinyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pentan-1-ol
SMILESCCc1cnn2c(NCc3ccc(OCC(C)(C)C(C)(C)COCC(C)(C)CC(C)(C)COC4CCNCC4)nc3)cc(N(CC)C(CC)CCO)nc12
InChIInChI=1S/C43H73N7O4/c1-12-33-26-47-50-36(23-37(48-39(33)50)49(14-3)34(13-2)19-22-51)45-24-32-15-16-38(46-25-32)54-31-43(10,11)42(8,9)30-52-28-40(4,5)27-41(6,7)29-53-35-17-20-44-21-18-35/h15-16,23,25-26,34-35,44-45,51H,12-14,17-22,24,27-31H2,1-11H3
InChIKeyKCJCIXQSFKLHDQ-UHFFFAOYSA-N
XLogP7.95
TPSA118.30 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500752.10
LogP ≤ 57.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 3-[ethyl-[3-ethyl-7-[[6-[2,2,3,3-tetramethyl-4-(2,2,4,4-tetramethyl-5-piperidin-4-yloxypentoxy)butoxy]-3-pyridinyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pentan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[3-ethyl-7-[[6-[2,2,3,3-tetramethyl-4-(2,2,4,4-tetramethyl-5-piperidin-4-yloxypentoxy)butoxy]-3-pyridinyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pentan-1-ol?
The IUPAC name of 3-[ethyl-[3-ethyl-7-[[6-[2,2,3,3-tetramethyl-4-(2,2,4,4-tetramethyl-5-piperidin-4-yloxypentoxy)butoxy]-3-pyridinyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pentan-1-ol (CID 171081131) is 3-[ethyl-[3-ethyl-7-[[6-[2,2,3,3-tetramethyl-4-(2,2,4,4-tetramethyl-5-piperidin-4-yloxypentoxy)butoxy]-3-pyridinyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pentan-1-ol.
What is the SMILES notation for 3-[ethyl-[3-ethyl-7-[[6-[2,2,3,3-tetramethyl-4-(2,2,4,4-tetramethyl-5-piperidin-4-yloxypentoxy)butoxy]-3-pyridinyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pentan-1-ol?
The canonical SMILES for 3-[ethyl-[3-ethyl-7-[[6-[2,2,3,3-tetramethyl-4-(2,2,4,4-tetramethyl-5-piperidin-4-yloxypentoxy)butoxy]-3-pyridinyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pentan-1-ol is CCc1cnn2c(NCc3ccc(OCC(C)(C)C(C)(C)COCC(C)(C)CC(C)(C)COC4CCNCC4)nc3)cc(N(CC)C(CC)CCO)nc12.
What is the InChIKey of 3-[ethyl-[3-ethyl-7-[[6-[2,2,3,3-tetramethyl-4-(2,2,4,4-tetramethyl-5-piperidin-4-yloxypentoxy)butoxy]-3-pyridinyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pentan-1-ol?
The InChIKey is KCJCIXQSFKLHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H73N7O4/c1-12-33-26-47-50-36(23-37(48-39(33)50)49(14-3)34(13-2)19-22-51)45-24-32-15-16-38(46-25-32)54-31-43(10,11)42(8,9)30-52-28-40(4,5)27-41(6,7)29-53-35-17-20-44-21-18-35/h15-16,23,25-26,34-35,44-45,51H,12-14,17-22,24,27-31H2,1-11H3.
What are the key properties of 3-[ethyl-[3-ethyl-7-[[6-[2,2,3,3-tetramethyl-4-(2,2,4,4-tetramethyl-5-piperidin-4-yloxypentoxy)butoxy]-3-pyridinyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pentan-1-ol?
3-[ethyl-[3-ethyl-7-[[6-[2,2,3,3-tetramethyl-4-(2,2,4,4-tetramethyl-5-piperidin-4-yloxypentoxy)butoxy]-3-pyridinyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pentan-1-ol has a molecular weight of 752.10 g/mol, XLogP of 7.95, 23 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[3-ethyl-7-[[6-[2,2,3,3-tetramethyl-4-(2,2,4,4-tetramethyl-5-piperidin-4-yloxypentoxy)butoxy]-3-pyridinyl]methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]pentan-1-ol is sourced from PubChem (CID 171081131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).