4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide

C72H82N16O10 — CID 161247516

IUPAC4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccncc3)c3ccccc23)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccncc3)cc2)cc1
InChIInChI=1S/C38H42N8O5.C34H40N8O5/c1-38(2,3)32-22-33(46(44-32)27-12-10-26(11-13-27)36(49)45(23-34(47)39-4)24-35(48)40-5)43-37(50)42-30-14-15-31(29-9-7-6-8-28(29)30)51-21-18-25-16-19-41-20-17-25;1-34(2,3)28-20-29(39-33(46)38-25-8-12-27(13-9-25)47-19-16-23-14-17-37-18-15-23)42(40-28)26-10-6-24(7-11-26)32(45)41(21-30(43)35-4)22-31(44)36-5/h6-17,19-20,22H,18,21,23-24H2,1-5H3,(H,39,47)(H,40,48)(H2,42,43,50);6-15,17-18,20H,16,19,21-22H2,1-5H3,(H,35,43)(H,36,44)(H2,38,39,46)
InChIKeyVAVHMDBCNXSZGN-UHFFFAOYSA-N
MW1331.55 g/mol
LogP8.68
Rot. Bonds24

About 4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide

4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 161247516) has the molecular formula C72H82N16O10 and a molecular weight of 1331.55 g/mol. Its IUPAC name is 4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide
PubChem CID161247516
Molecular FormulaC72H82N16O10
Molecular Weight1331.55 g/mol
Exact Mass1330.64
IUPAC Name4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide
SMILESCNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccncc3)c3ccccc23)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccncc3)cc2)cc1
InChIInChI=1S/C38H42N8O5.C34H40N8O5/c1-38(2,3)32-22-33(46(44-32)27-12-10-26(11-13-27)36(49)45(23-34(47)39-4)24-35(48)40-5)43-37(50)42-30-14-15-31(29-9-7-6-8-28(29)30)51-21-18-25-16-19-41-20-17-25;1-34(2,3)28-20-29(39-33(46)38-25-8-12-27(13-9-25)47-19-16-23-14-17-37-18-15-23)42(40-28)26-10-6-24(7-11-26)32(45)41(21-30(43)35-4)22-31(44)36-5/h6-17,19-20,22H,18,21,23-24H2,1-5H3,(H,39,47)(H,40,48)(H2,42,43,50);6-15,17-18,20H,16,19,21-22H2,1-5H3,(H,35,43)(H,36,44)(H2,38,39,46)
InChIKeyVAVHMDBCNXSZGN-UHFFFAOYSA-N
XLogP8.68
TPSA319.16 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001331.55
LogP ≤ 58.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide with MolForge

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Related Compounds

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CID 45254577
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Frequently Asked Questions

What is the IUPAC name of 4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide?
The IUPAC name of 4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide (CID 161247516) is 4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide?
The canonical SMILES for 4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide is CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccncc3)c3ccccc23)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccncc3)cc2)cc1.
What is the InChIKey of 4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide?
The InChIKey is VAVHMDBCNXSZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42N8O5.C34H40N8O5/c1-38(2,3)32-22-33(46(44-32)27-12-10-26(11-13-27)36(49)45(23-34(47)39-4)24-35(48)40-5)43-37(50)42-30-14-15-31(29-9-7-6-8-28(29)30)51-21-18-25-16-19-41-20-17-25;1-34(2,3)28-20-29(39-33(46)38-25-8-12-27(13-9-25)47-19-16-23-14-17-37-18-15-23)42(40-28)26-10-6-24(7-11-26)32(45)41(21-30(43)35-4)22-31(44)36-5/h6-17,19-20,22H,18,21,23-24H2,1-5H3,(H,39,47)(H,40,48)(H2,42,43,50);6-15,17-18,20H,16,19,21-22H2,1-5H3,(H,35,43)(H,36,44)(H2,38,39,46).
What are the key properties of 4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide?
4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide has a molecular weight of 1331.55 g/mol, XLogP of 8.68, 24 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 161247516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).