N-[3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide

C24H28FN9O2 — CID 170144820

IUPACN-[3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCOc1nn(C)cc1Nc1ncc(F)c(-c2c[nH]c3c(NC(=O)CN4CCN(C)CC4)cccc23)n1
InChIInChI=1S/C24H28FN9O2/c1-32-7-9-34(10-8-32)14-20(35)28-18-6-4-5-15-16(11-26-22(15)18)21-17(25)12-27-24(30-21)29-19-13-33(2)31-23(19)36-3/h4-6,11-13,26H,7-10,14H2,1-3H3,(H,28,35)(H,27,29,30)
InChIKeyNJSONMXKIZXWAY-UHFFFAOYSA-N
MW493.55 g/mol
LogP2.44
Rot. Bonds7

About N-[3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 170144820) has the molecular formula C24H28FN9O2 and a molecular weight of 493.55 g/mol. Its IUPAC name is N-[3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID170144820
Molecular FormulaC24H28FN9O2
Molecular Weight493.55 g/mol
Exact Mass493.23
IUPAC NameN-[3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCOc1nn(C)cc1Nc1ncc(F)c(-c2c[nH]c3c(NC(=O)CN4CCN(C)CC4)cccc23)n1
InChIInChI=1S/C24H28FN9O2/c1-32-7-9-34(10-8-32)14-20(35)28-18-6-4-5-15-16(11-26-22(15)18)21-17(25)12-27-24(30-21)29-19-13-33(2)31-23(19)36-3/h4-6,11-13,26H,7-10,14H2,1-3H3,(H,28,35)(H,27,29,30)
InChIKeyNJSONMXKIZXWAY-UHFFFAOYSA-N
XLogP2.44
TPSA116.23 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.55
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 170144820) is N-[3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide is COc1nn(C)cc1Nc1ncc(F)c(-c2c[nH]c3c(NC(=O)CN4CCN(C)CC4)cccc23)n1.
What is the InChIKey of N-[3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is NJSONMXKIZXWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN9O2/c1-32-7-9-34(10-8-32)14-20(35)28-18-6-4-5-15-16(11-26-22(15)18)21-17(25)12-27-24(30-21)29-19-13-33(2)31-23(19)36-3/h4-6,11-13,26H,7-10,14H2,1-3H3,(H,28,35)(H,27,29,30).
What are the key properties of N-[3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 493.55 g/mol, XLogP of 2.44, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 170144820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).