N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide

C20H21N7O2 — CID 126735520

IUPACN-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide
SMILESCCC(=O)Nc1cccc2c(-c3ccnc(Nc4cn(C)nc4OC)n3)c[nH]c12
InChIInChI=1S/C20H21N7O2/c1-4-17(28)23-15-7-5-6-12-13(10-22-18(12)15)14-8-9-21-20(24-14)25-16-11-27(2)26-19(16)29-3/h5-11,22H,4H2,1-3H3,(H,23,28)(H,21,24,25)
InChIKeyMEGQFDHSMMMZEH-UHFFFAOYSA-N
MW391.44 g/mol
LogP3.46
Rot. Bonds6

About N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide

N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide (PubChem CID 126735520) has the molecular formula C20H21N7O2 and a molecular weight of 391.44 g/mol. Its IUPAC name is N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide.

Molecular Properties

Compound NameN-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide
PubChem CID126735520
Molecular FormulaC20H21N7O2
Molecular Weight391.44 g/mol
Exact Mass391.18
IUPAC NameN-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide
SMILESCCC(=O)Nc1cccc2c(-c3ccnc(Nc4cn(C)nc4OC)n3)c[nH]c12
InChIInChI=1S/C20H21N7O2/c1-4-17(28)23-15-7-5-6-12-13(10-22-18(12)15)14-8-9-21-20(24-14)25-16-11-27(2)26-19(16)29-3/h5-11,22H,4H2,1-3H3,(H,23,28)(H,21,24,25)
InChIKeyMEGQFDHSMMMZEH-UHFFFAOYSA-N
XLogP3.46
TPSA109.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide 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

ethane;N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 145279625
2-bromo-N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide
CID 126720790
(2R)-4,4-difluoro-N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 167088812
(3R)-4-methoxy-1-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-3-(4-methylpiperazin-1-yl)butan-2-one
CID 147695289
tert-butyl 3-[(2R,4S)-4-fluoro-2-[[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]carbamoyl]pyrrolidin-1-yl]pyrrolidine-1-carboxylate
CID 167088886
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
(2S)-2-bromo-N-[3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide
CID 169079913
3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-N-methyl-1H-indol-7-amine
CID 167088857
(2R)-4,4-difluoro-N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]pyrrolidine-2-carboxamide
CID 167088819
N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]-5-methylpyrimidin-4-yl]-1H-indol-7-yl]pyrrolidine-2-carboxamide
CID 167088880
(2R,4S)-N-[3-[5-fluoro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-4-methoxypyrrolidine-2-carboxamide
CID 175945802
(2R)-N-[3-[5-chloro-2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 170150654

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide?
The IUPAC name of N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide (CID 126735520) is N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide.
What is the SMILES notation for N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide?
The canonical SMILES for N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide is CCC(=O)Nc1cccc2c(-c3ccnc(Nc4cn(C)nc4OC)n3)c[nH]c12.
What is the InChIKey of N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide?
The InChIKey is MEGQFDHSMMMZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2/c1-4-17(28)23-15-7-5-6-12-13(10-22-18(12)15)14-8-9-21-20(24-14)25-16-11-27(2)26-19(16)29-3/h5-11,22H,4H2,1-3H3,(H,23,28)(H,21,24,25).
What are the key properties of N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide?
N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide has a molecular weight of 391.44 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(3-methoxy-1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1H-indol-7-yl]propanamide is sourced from PubChem (CID 126735520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).