6-chloro-17-(2-pyrrolidin-1-ylethoxy)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(20),3,5,7(22),9,11,13(21),16,18-nonaene

C24H26ClN5O — CID 56946524

IUPAC6-chloro-17-(2-pyrrolidin-1-ylethoxy)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(20),3,5,7(22),9,11,13(21),16,18-nonaene
SMILESClc1cnc2nc1Nc1cccc(c1)CCc1cc(ccc1OCCN1CCCC1)N2
InChIInChI=1S/C24H26ClN5O/c25-21-16-26-24-28-20-8-9-22(31-13-12-30-10-1-2-11-30)18(15-20)7-6-17-4-3-5-19(14-17)27-23(21)29-24/h3-5,8-9,14-16H,1-2,6-7,10-13H2,(H2,26,27,28,29)
InChIKeySEYQSNUEPJIPOP-UHFFFAOYSA-N
MW435.96 g/mol
LogP5.19
Rot. Bonds4

About 6-chloro-17-(2-pyrrolidin-1-ylethoxy)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(20),3,5,7(22),9,11,13(21),16,18-nonaene

6-chloro-17-(2-pyrrolidin-1-ylethoxy)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(20),3,5,7(22),9,11,13(21),16,18-nonaene (PubChem CID 56946524) has the molecular formula C24H26ClN5O and a molecular weight of 435.96 g/mol. Its IUPAC name is 6-chloro-17-(2-pyrrolidin-1-ylethoxy)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(20),3,5,7(22),9,11,13(21),16,18-nonaene.

Molecular Properties

Compound Name6-chloro-17-(2-pyrrolidin-1-ylethoxy)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(20),3,5,7(22),9,11,13(21),16,18-nonaene
PubChem CID56946524
Molecular FormulaC24H26ClN5O
Molecular Weight435.96 g/mol
Exact Mass435.18
IUPAC Name6-chloro-17-(2-pyrrolidin-1-ylethoxy)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(20),3,5,7(22),9,11,13(21),16,18-nonaene
SMILESClc1cnc2nc1Nc1cccc(c1)CCc1cc(ccc1OCCN1CCCC1)N2
InChIInChI=1S/C24H26ClN5O/c25-21-16-26-24-28-20-8-9-22(31-13-12-30-10-1-2-11-30)18(15-20)7-6-17-4-3-5-19(14-17)27-23(21)29-24/h3-5,8-9,14-16H,1-2,6-7,10-13H2,(H2,26,27,28,29)
InChIKeySEYQSNUEPJIPOP-UHFFFAOYSA-N
XLogP5.19
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.96
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-17-(2-pyrrolidin-1-ylethoxy)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(20),3,5,7(22),9,11,13(21),16,18-nonaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pacritinib
CID 46216796
Zotiraciclib
CID 16739650
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
2,4-Bis anilino pyrimidine deriv. 12
CID 6538995
2,4-Bis anilino pyrimidine deriv. 22
CID 6539005
1-({1-[2-({3,5-Dimethyl-4-[2-(Pyrrolidin-1-Yl)ethoxy]phenyl}amino)pyrimidin-4-Yl]-4-Methyl-1h-Pyrrol-3-Yl}methyl)azetidin-3-Ol
CID 102515519
N*2*-(2-Phenoxy-ethyl)-N*4*-((S)-1-phenyl-ethyl)-pyridine-2,4-diamine
CID 44393073
N*4*-(2-Phenoxy-ethyl)-N*2*-((S)-1-phenyl-ethyl)-pyridine-2,4-diamine
CID 44393192
3-[(2-chlorophenyl)methyl]-1-(4-methoxyphenyl)-1-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]urea
CID 11612229
N-[4-[2-(Dimethylamino)ethoxy]phenyl]-4-(3-pyridinyl)-2-pyrimidinamine
CID 14347179
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 14347181
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 14347182

Frequently Asked Questions

What is the IUPAC name of 6-chloro-17-(2-pyrrolidin-1-ylethoxy)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(20),3,5,7(22),9,11,13(21),16,18-nonaene?
The IUPAC name of 6-chloro-17-(2-pyrrolidin-1-ylethoxy)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(20),3,5,7(22),9,11,13(21),16,18-nonaene (CID 56946524) is 6-chloro-17-(2-pyrrolidin-1-ylethoxy)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(20),3,5,7(22),9,11,13(21),16,18-nonaene.
What is the SMILES notation for 6-chloro-17-(2-pyrrolidin-1-ylethoxy)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(20),3,5,7(22),9,11,13(21),16,18-nonaene?
The canonical SMILES for 6-chloro-17-(2-pyrrolidin-1-ylethoxy)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(20),3,5,7(22),9,11,13(21),16,18-nonaene is Clc1cnc2nc1Nc1cccc(c1)CCc1cc(ccc1OCCN1CCCC1)N2.
What is the InChIKey of 6-chloro-17-(2-pyrrolidin-1-ylethoxy)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(20),3,5,7(22),9,11,13(21),16,18-nonaene?
The InChIKey is SEYQSNUEPJIPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O/c25-21-16-26-24-28-20-8-9-22(31-13-12-30-10-1-2-11-30)18(15-20)7-6-17-4-3-5-19(14-17)27-23(21)29-24/h3-5,8-9,14-16H,1-2,6-7,10-13H2,(H2,26,27,28,29).
What are the key properties of 6-chloro-17-(2-pyrrolidin-1-ylethoxy)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(20),3,5,7(22),9,11,13(21),16,18-nonaene?
6-chloro-17-(2-pyrrolidin-1-ylethoxy)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(20),3,5,7(22),9,11,13(21),16,18-nonaene has a molecular weight of 435.96 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-17-(2-pyrrolidin-1-ylethoxy)-2,4,8,22-tetrazatetracyclo[14.3.1.13,7.19,13]docosa-1(20),3,5,7(22),9,11,13(21),16,18-nonaene is sourced from PubChem (CID 56946524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).