N-[5-[3-(2-aminopyrimidin-5-yl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide

C22H25N9OS — CID 156760480

IUPACN-[5-[3-(2-aminopyrimidin-5-yl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1nc(NC(=O)CN2CCN(C)CC2)sc1-c1ccc2c(-c3cnc(N)nc3)n[nH]c2c1
InChIInChI=1S/C22H25N9OS/c1-13-20(33-22(26-13)27-18(32)12-31-7-5-30(2)6-8-31)14-3-4-16-17(9-14)28-29-19(16)15-10-24-21(23)25-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,28,29)(H2,23,24,25)(H,26,27,32)
InChIKeyKSPRYVVVCMTVPC-UHFFFAOYSA-N
MW463.57 g/mol
LogP2.22
Rot. Bonds5

About N-[5-[3-(2-aminopyrimidin-5-yl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[5-[3-(2-aminopyrimidin-5-yl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 156760480) has the molecular formula C22H25N9OS and a molecular weight of 463.57 g/mol. Its IUPAC name is N-[5-[3-(2-aminopyrimidin-5-yl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[5-[3-(2-aminopyrimidin-5-yl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID156760480
Molecular FormulaC22H25N9OS
Molecular Weight463.57 g/mol
Exact Mass463.19
IUPAC NameN-[5-[3-(2-aminopyrimidin-5-yl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCc1nc(NC(=O)CN2CCN(C)CC2)sc1-c1ccc2c(-c3cnc(N)nc3)n[nH]c2c1
InChIInChI=1S/C22H25N9OS/c1-13-20(33-22(26-13)27-18(32)12-31-7-5-30(2)6-8-31)14-3-4-16-17(9-14)28-29-19(16)15-10-24-21(23)25-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,28,29)(H2,23,24,25)(H,26,27,32)
InChIKeyKSPRYVVVCMTVPC-UHFFFAOYSA-N
XLogP2.22
TPSA128.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.57
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2-aminopyrimidin-5-yl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[5-[3-(2-aminopyrimidin-5-yl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 156760480) is N-[5-[3-(2-aminopyrimidin-5-yl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[5-[3-(2-aminopyrimidin-5-yl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[5-[3-(2-aminopyrimidin-5-yl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide is Cc1nc(NC(=O)CN2CCN(C)CC2)sc1-c1ccc2c(-c3cnc(N)nc3)n[nH]c2c1.
What is the InChIKey of N-[5-[3-(2-aminopyrimidin-5-yl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is KSPRYVVVCMTVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N9OS/c1-13-20(33-22(26-13)27-18(32)12-31-7-5-30(2)6-8-31)14-3-4-16-17(9-14)28-29-19(16)15-10-24-21(23)25-11-15/h3-4,9-11H,5-8,12H2,1-2H3,(H,28,29)(H2,23,24,25)(H,26,27,32).
What are the key properties of N-[5-[3-(2-aminopyrimidin-5-yl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[5-[3-(2-aminopyrimidin-5-yl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 463.57 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(2-aminopyrimidin-5-yl)-1H-indazol-6-yl]-4-methyl-1,3-thiazol-2-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 156760480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).