2-[4-[7-amino-5-[1-[6-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]-N,N-dimethylacetamide

C38H42Br2N16O — CID 143656310

IUPAC2-[4-[7-amino-5-[1-[6-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCN(c5ccc(Cn6cc(-c7cnn8c(N)c(Br)c(C9CCCNC9)nc78)cn6)nc5)C4)nc23)cn1
InChIInChI=1S/C38H42Br2N16O/c1-51(2)30(57)21-54-19-25(13-46-54)29-16-48-56-36(42)32(40)34(50-38(29)56)23-6-4-10-52(17-23)27-8-7-26(44-14-27)20-53-18-24(12-45-53)28-15-47-55-35(41)31(39)33(49-37(28)55)22-5-3-9-43-11-22/h7-8,12-16,18-19,22-23,43H,3-6,9-11,17,20-21,41-42H2,1-2H3
InChIKeyRZXQJEOUYQRKKZ-UHFFFAOYSA-N
MW898.67 g/mol
LogP4.57
Rot. Bonds9

About 2-[4-[7-amino-5-[1-[6-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]-N,N-dimethylacetamide

2-[4-[7-amino-5-[1-[6-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]-N,N-dimethylacetamide (PubChem CID 143656310) has the molecular formula C38H42Br2N16O and a molecular weight of 898.67 g/mol. Its IUPAC name is 2-[4-[7-amino-5-[1-[6-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[7-amino-5-[1-[6-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]-N,N-dimethylacetamide
PubChem CID143656310
Molecular FormulaC38H42Br2N16O
Molecular Weight898.67 g/mol
Exact Mass896.21
IUPAC Name2-[4-[7-amino-5-[1-[6-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCN(c5ccc(Cn6cc(-c7cnn8c(N)c(Br)c(C9CCCNC9)nc78)cn6)nc5)C4)nc23)cn1
InChIInChI=1S/C38H42Br2N16O/c1-51(2)30(57)21-54-19-25(13-46-54)29-16-48-56-36(42)32(40)34(50-38(29)56)23-6-4-10-52(17-23)27-8-7-26(44-14-27)20-53-18-24(12-45-53)28-15-47-55-35(41)31(39)33(49-37(28)55)22-5-3-9-43-11-22/h7-8,12-16,18-19,22-23,43H,3-6,9-11,17,20-21,41-42H2,1-2H3
InChIKeyRZXQJEOUYQRKKZ-UHFFFAOYSA-N
XLogP4.57
TPSA196.53 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500898.67
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 2-[4-[7-amino-5-[1-[6-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]-N,N-dimethylacetamide 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

US10189836, Example 137
CID 129269862
US10544143, Example 919
CID 138686379
US10544143, Example 917
CID 138686482
US10544143, Example 933
CID 138686228
US10544143, Example 894
CID 138686251
US10544143, Example 539
CID 138686267
US10544143, Example 887
CID 138686306
US10544143, Example 863
CID 138686320
US10544143, Example 801
CID 138686329
US10544143, Example 970
CID 138686334
US10544143, Example 922
CID 138686339
US10544143, Example 830
CID 138686340

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-amino-5-[1-[6-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[7-amino-5-[1-[6-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]-N,N-dimethylacetamide (CID 143656310) is 2-[4-[7-amino-5-[1-[6-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[7-amino-5-[1-[6-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[7-amino-5-[1-[6-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCN(c5ccc(Cn6cc(-c7cnn8c(N)c(Br)c(C9CCCNC9)nc78)cn6)nc5)C4)nc23)cn1.
What is the InChIKey of 2-[4-[7-amino-5-[1-[6-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]-N,N-dimethylacetamide?
The InChIKey is RZXQJEOUYQRKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42Br2N16O/c1-51(2)30(57)21-54-19-25(13-46-54)29-16-48-56-36(42)32(40)34(50-38(29)56)23-6-4-10-52(17-23)27-8-7-26(44-14-27)20-53-18-24(12-45-53)28-15-47-55-35(41)31(39)33(49-37(28)55)22-5-3-9-43-11-22/h7-8,12-16,18-19,22-23,43H,3-6,9-11,17,20-21,41-42H2,1-2H3.
What are the key properties of 2-[4-[7-amino-5-[1-[6-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]-N,N-dimethylacetamide?
2-[4-[7-amino-5-[1-[6-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]-N,N-dimethylacetamide has a molecular weight of 898.67 g/mol, XLogP of 4.57, 9 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-amino-5-[1-[6-[[4-(7-amino-6-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromopyrazolo[1,5-a]pyrimidin-3-yl]pyrazol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 143656310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).