10-phenyl-23-pyrido[1,2-b]indazol-10-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),7,11,14(22),15,17,19-nonaene

C37H24N4S — CID 163656310

IUPAC10-phenyl-23-pyrido[1,2-b]indazol-10-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),7,11,14(22),15,17,19-nonaene
SMILESC1=Cc2c(c3cc4c(cc3n2-c2ccccc2)c2c3ccccc3sc2n4-c2cccn3nc4ccccc4c23)CC1
InChIInChI=1S/C37H24N4S/c1-2-11-23(12-3-1)40-30-17-8-5-13-24(30)27-21-33-28(22-32(27)40)35-26-15-6-9-19-34(26)42-37(35)41(33)31-18-10-20-39-36(31)25-14-4-7-16-29(25)38-39/h1-4,6-12,14-22H,5,13H2
InChIKeyIQNBLGKZWAPCBG-UHFFFAOYSA-N
MW556.69 g/mol
LogP9.70
Rot. Bonds2

About 10-phenyl-23-pyrido[1,2-b]indazol-10-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),7,11,14(22),15,17,19-nonaene

10-phenyl-23-pyrido[1,2-b]indazol-10-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),7,11,14(22),15,17,19-nonaene (PubChem CID 163656310) has the molecular formula C37H24N4S and a molecular weight of 556.69 g/mol. Its IUPAC name is 10-phenyl-23-pyrido[1,2-b]indazol-10-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),7,11,14(22),15,17,19-nonaene.

Molecular Properties

Compound Name10-phenyl-23-pyrido[1,2-b]indazol-10-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),7,11,14(22),15,17,19-nonaene
PubChem CID163656310
Molecular FormulaC37H24N4S
Molecular Weight556.69 g/mol
Exact Mass556.17
IUPAC Name10-phenyl-23-pyrido[1,2-b]indazol-10-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),7,11,14(22),15,17,19-nonaene
SMILESC1=Cc2c(c3cc4c(cc3n2-c2ccccc2)c2c3ccccc3sc2n4-c2cccn3nc4ccccc4c23)CC1
InChIInChI=1S/C37H24N4S/c1-2-11-23(12-3-1)40-30-17-8-5-13-24(30)27-21-33-28(22-32(27)40)35-26-15-6-9-19-34(26)42-37(35)41(33)31-18-10-20-39-36(31)25-14-4-7-16-29(25)38-39/h1-4,6-12,14-22H,5,13H2
InChIKeyIQNBLGKZWAPCBG-UHFFFAOYSA-N
XLogP9.70
TPSA27.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.69
LogP ≤ 59.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 10-phenyl-23-pyrido[1,2-b]indazol-10-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),7,11,14(22),15,17,19-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-phenyl-23-pyrido[1,2-b]indazol-10-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),7,11,14(22),15,17,19-nonaene?
The IUPAC name of 10-phenyl-23-pyrido[1,2-b]indazol-10-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),7,11,14(22),15,17,19-nonaene (CID 163656310) is 10-phenyl-23-pyrido[1,2-b]indazol-10-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),7,11,14(22),15,17,19-nonaene.
What is the SMILES notation for 10-phenyl-23-pyrido[1,2-b]indazol-10-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),7,11,14(22),15,17,19-nonaene?
The canonical SMILES for 10-phenyl-23-pyrido[1,2-b]indazol-10-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),7,11,14(22),15,17,19-nonaene is C1=Cc2c(c3cc4c(cc3n2-c2ccccc2)c2c3ccccc3sc2n4-c2cccn3nc4ccccc4c23)CC1.
What is the InChIKey of 10-phenyl-23-pyrido[1,2-b]indazol-10-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),7,11,14(22),15,17,19-nonaene?
The InChIKey is IQNBLGKZWAPCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H24N4S/c1-2-11-23(12-3-1)40-30-17-8-5-13-24(30)27-21-33-28(22-32(27)40)35-26-15-6-9-19-34(26)42-37(35)41(33)31-18-10-20-39-36(31)25-14-4-7-16-29(25)38-39/h1-4,6-12,14-22H,5,13H2.
What are the key properties of 10-phenyl-23-pyrido[1,2-b]indazol-10-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),7,11,14(22),15,17,19-nonaene?
10-phenyl-23-pyrido[1,2-b]indazol-10-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),7,11,14(22),15,17,19-nonaene has a molecular weight of 556.69 g/mol, XLogP of 9.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-23-pyrido[1,2-b]indazol-10-yl-21-thia-10,23-diazahexacyclo[11.10.0.03,11.04,9.014,22.015,20]tricosa-1(13),2,4(9),7,11,14(22),15,17,19-nonaene is sourced from PubChem (CID 163656310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).