N-[3-[2-methyl-3-[5-(7-methyl-1H-indazol-5-yl)-2-pyridinyl]-3-oxopropyl]cyclopentyl]propanamide

C25H30N4O2 — CID 123792549

IUPACN-[3-[2-methyl-3-[5-(7-methyl-1H-indazol-5-yl)-2-pyridinyl]-3-oxopropyl]cyclopentyl]propanamide
SMILESCCC(=O)NC1CCC(CC(C)C(=O)c2ccc(-c3cc(C)c4[nH]ncc4c3)cn2)C1
InChIInChI=1S/C25H30N4O2/c1-4-23(30)28-21-7-5-17(11-21)9-16(3)25(31)22-8-6-18(13-26-22)19-10-15(2)24-20(12-19)14-27-29-24/h6,8,10,12-14,16-17,21H,4-5,7,9,11H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyTXDANZNUQDWQGF-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.84
Rot. Bonds7

About N-[3-[2-methyl-3-[5-(7-methyl-1H-indazol-5-yl)-2-pyridinyl]-3-oxopropyl]cyclopentyl]propanamide

N-[3-[2-methyl-3-[5-(7-methyl-1H-indazol-5-yl)-2-pyridinyl]-3-oxopropyl]cyclopentyl]propanamide (PubChem CID 123792549) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[3-[2-methyl-3-[5-(7-methyl-1H-indazol-5-yl)-2-pyridinyl]-3-oxopropyl]cyclopentyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-methyl-3-[5-(7-methyl-1H-indazol-5-yl)-2-pyridinyl]-3-oxopropyl]cyclopentyl]propanamide
PubChem CID123792549
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-[3-[2-methyl-3-[5-(7-methyl-1H-indazol-5-yl)-2-pyridinyl]-3-oxopropyl]cyclopentyl]propanamide
SMILESCCC(=O)NC1CCC(CC(C)C(=O)c2ccc(-c3cc(C)c4[nH]ncc4c3)cn2)C1
InChIInChI=1S/C25H30N4O2/c1-4-23(30)28-21-7-5-17(11-21)9-16(3)25(31)22-8-6-18(13-26-22)19-10-15(2)24-20(12-19)14-27-29-24/h6,8,10,12-14,16-17,21H,4-5,7,9,11H2,1-3H3,(H,27,29)(H,28,30)
InChIKeyTXDANZNUQDWQGF-UHFFFAOYSA-N
XLogP4.84
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-methyl-3-[5-(7-methyl-1H-indazol-5-yl)-2-pyridinyl]-3-oxopropyl]cyclopentyl]propanamide?
The IUPAC name of N-[3-[2-methyl-3-[5-(7-methyl-1H-indazol-5-yl)-2-pyridinyl]-3-oxopropyl]cyclopentyl]propanamide (CID 123792549) is N-[3-[2-methyl-3-[5-(7-methyl-1H-indazol-5-yl)-2-pyridinyl]-3-oxopropyl]cyclopentyl]propanamide.
What is the SMILES notation for N-[3-[2-methyl-3-[5-(7-methyl-1H-indazol-5-yl)-2-pyridinyl]-3-oxopropyl]cyclopentyl]propanamide?
The canonical SMILES for N-[3-[2-methyl-3-[5-(7-methyl-1H-indazol-5-yl)-2-pyridinyl]-3-oxopropyl]cyclopentyl]propanamide is CCC(=O)NC1CCC(CC(C)C(=O)c2ccc(-c3cc(C)c4[nH]ncc4c3)cn2)C1.
What is the InChIKey of N-[3-[2-methyl-3-[5-(7-methyl-1H-indazol-5-yl)-2-pyridinyl]-3-oxopropyl]cyclopentyl]propanamide?
The InChIKey is TXDANZNUQDWQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-4-23(30)28-21-7-5-17(11-21)9-16(3)25(31)22-8-6-18(13-26-22)19-10-15(2)24-20(12-19)14-27-29-24/h6,8,10,12-14,16-17,21H,4-5,7,9,11H2,1-3H3,(H,27,29)(H,28,30).
What are the key properties of N-[3-[2-methyl-3-[5-(7-methyl-1H-indazol-5-yl)-2-pyridinyl]-3-oxopropyl]cyclopentyl]propanamide?
N-[3-[2-methyl-3-[5-(7-methyl-1H-indazol-5-yl)-2-pyridinyl]-3-oxopropyl]cyclopentyl]propanamide has a molecular weight of 418.54 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-methyl-3-[5-(7-methyl-1H-indazol-5-yl)-2-pyridinyl]-3-oxopropyl]cyclopentyl]propanamide is sourced from PubChem (CID 123792549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).