10-chloro-20-(5-cyclopropylpyrimidin-2-yl)-3-methyl-1,12,20,24-tetrazapentacyclo[15.7.0.02,7.011,15.018,23]tetracosa-2,4,6,8,10,13,15,17,23-nonaen-16-amine

C28H26ClN7 — CID 146382998

IUPAC10-chloro-20-(5-cyclopropylpyrimidin-2-yl)-3-methyl-1,12,20,24-tetrazapentacyclo[15.7.0.02,7.011,15.018,23]tetracosa-2,4,6,8,10,13,15,17,23-nonaen-16-amine
SMILESCc1cccc2ccc(Cl)c3[nH]ccc3c(N)c3c4c(nn3c12)CCN(c1ncc(C2CC2)cn1)C4
InChIInChI=1S/C28H26ClN7/c1-16-3-2-4-18-7-8-22(29)25-20(9-11-31-25)24(30)27-21-15-35(12-10-23(21)34-36(27)26(16)18)28-32-13-19(14-33-28)17-5-6-17/h2-4,7-9,11,13-14,17,31H,5-6,10,12,15,30H2,1H3/b8-7+,24-20-,25-22-
InChIKeyJVCIDARCYXUVBS-OAPCUCRVSA-N
MW496.02 g/mol
LogP5.87
Rot. Bonds2

About 10-chloro-20-(5-cyclopropylpyrimidin-2-yl)-3-methyl-1,12,20,24-tetrazapentacyclo[15.7.0.02,7.011,15.018,23]tetracosa-2,4,6,8,10,13,15,17,23-nonaen-16-amine

10-chloro-20-(5-cyclopropylpyrimidin-2-yl)-3-methyl-1,12,20,24-tetrazapentacyclo[15.7.0.02,7.011,15.018,23]tetracosa-2,4,6,8,10,13,15,17,23-nonaen-16-amine (PubChem CID 146382998) has the molecular formula C28H26ClN7 and a molecular weight of 496.02 g/mol. Its IUPAC name is 10-chloro-20-(5-cyclopropylpyrimidin-2-yl)-3-methyl-1,12,20,24-tetrazapentacyclo[15.7.0.02,7.011,15.018,23]tetracosa-2,4,6,8,10,13,15,17,23-nonaen-16-amine.

Molecular Properties

Compound Name10-chloro-20-(5-cyclopropylpyrimidin-2-yl)-3-methyl-1,12,20,24-tetrazapentacyclo[15.7.0.02,7.011,15.018,23]tetracosa-2,4,6,8,10,13,15,17,23-nonaen-16-amine
PubChem CID146382998
Molecular FormulaC28H26ClN7
Molecular Weight496.02 g/mol
Exact Mass495.19
IUPAC Name10-chloro-20-(5-cyclopropylpyrimidin-2-yl)-3-methyl-1,12,20,24-tetrazapentacyclo[15.7.0.02,7.011,15.018,23]tetracosa-2,4,6,8,10,13,15,17,23-nonaen-16-amine
SMILESCc1cccc2ccc(Cl)c3[nH]ccc3c(N)c3c4c(nn3c12)CCN(c1ncc(C2CC2)cn1)C4
InChIInChI=1S/C28H26ClN7/c1-16-3-2-4-18-7-8-22(29)25-20(9-11-31-25)24(30)27-21-15-35(12-10-23(21)34-36(27)26(16)18)28-32-13-19(14-33-28)17-5-6-17/h2-4,7-9,11,13-14,17,31H,5-6,10,12,15,30H2,1H3/b8-7+,24-20-,25-22-
InChIKeyJVCIDARCYXUVBS-OAPCUCRVSA-N
XLogP5.87
TPSA88.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.02
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 10-chloro-20-(5-cyclopropylpyrimidin-2-yl)-3-methyl-1,12,20,24-tetrazapentacyclo[15.7.0.02,7.011,15.018,23]tetracosa-2,4,6,8,10,13,15,17,23-nonaen-16-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-chloro-20-(5-cyclopropylpyrimidin-2-yl)-3-methyl-1,12,20,24-tetrazapentacyclo[15.7.0.02,7.011,15.018,23]tetracosa-2,4,6,8,10,13,15,17,23-nonaen-16-amine?
The IUPAC name of 10-chloro-20-(5-cyclopropylpyrimidin-2-yl)-3-methyl-1,12,20,24-tetrazapentacyclo[15.7.0.02,7.011,15.018,23]tetracosa-2,4,6,8,10,13,15,17,23-nonaen-16-amine (CID 146382998) is 10-chloro-20-(5-cyclopropylpyrimidin-2-yl)-3-methyl-1,12,20,24-tetrazapentacyclo[15.7.0.02,7.011,15.018,23]tetracosa-2,4,6,8,10,13,15,17,23-nonaen-16-amine.
What is the SMILES notation for 10-chloro-20-(5-cyclopropylpyrimidin-2-yl)-3-methyl-1,12,20,24-tetrazapentacyclo[15.7.0.02,7.011,15.018,23]tetracosa-2,4,6,8,10,13,15,17,23-nonaen-16-amine?
The canonical SMILES for 10-chloro-20-(5-cyclopropylpyrimidin-2-yl)-3-methyl-1,12,20,24-tetrazapentacyclo[15.7.0.02,7.011,15.018,23]tetracosa-2,4,6,8,10,13,15,17,23-nonaen-16-amine is Cc1cccc2ccc(Cl)c3[nH]ccc3c(N)c3c4c(nn3c12)CCN(c1ncc(C2CC2)cn1)C4.
What is the InChIKey of 10-chloro-20-(5-cyclopropylpyrimidin-2-yl)-3-methyl-1,12,20,24-tetrazapentacyclo[15.7.0.02,7.011,15.018,23]tetracosa-2,4,6,8,10,13,15,17,23-nonaen-16-amine?
The InChIKey is JVCIDARCYXUVBS-OAPCUCRVSA-N. The full InChI is InChI=1S/C28H26ClN7/c1-16-3-2-4-18-7-8-22(29)25-20(9-11-31-25)24(30)27-21-15-35(12-10-23(21)34-36(27)26(16)18)28-32-13-19(14-33-28)17-5-6-17/h2-4,7-9,11,13-14,17,31H,5-6,10,12,15,30H2,1H3/b8-7+,24-20-,25-22-.
What are the key properties of 10-chloro-20-(5-cyclopropylpyrimidin-2-yl)-3-methyl-1,12,20,24-tetrazapentacyclo[15.7.0.02,7.011,15.018,23]tetracosa-2,4,6,8,10,13,15,17,23-nonaen-16-amine?
10-chloro-20-(5-cyclopropylpyrimidin-2-yl)-3-methyl-1,12,20,24-tetrazapentacyclo[15.7.0.02,7.011,15.018,23]tetracosa-2,4,6,8,10,13,15,17,23-nonaen-16-amine has a molecular weight of 496.02 g/mol, XLogP of 5.87, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-20-(5-cyclopropylpyrimidin-2-yl)-3-methyl-1,12,20,24-tetrazapentacyclo[15.7.0.02,7.011,15.018,23]tetracosa-2,4,6,8,10,13,15,17,23-nonaen-16-amine is sourced from PubChem (CID 146382998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).