1-[2-[4-fluoro-2-[(5-morpholin-4-yl-7H-cyclopenta[b]pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

C31H30FN9O4 — CID 148579931

IUPAC1-[2-[4-fluoro-2-[(5-morpholin-4-yl-7H-cyclopenta[b]pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2cnc3c(c2)C(N2CCOCC2)=CC3)c2ccc(-c3ccnnc3)cc12
InChIInChI=1S/C31H30FN9O4/c32-20-12-27(31(44)37-21-13-22-24(34-15-21)2-4-25(22)39-7-9-45-10-8-39)40(16-20)28(42)17-41-26-3-1-18(19-5-6-35-36-14-19)11-23(26)29(38-41)30(33)43/h1,3-6,11,13-15,20,27H,2,7-10,12,16-17H2,(H2,33,43)(H,37,44)
InChIKeyMYNSAOSJQBSDCT-UHFFFAOYSA-N
MW611.64 g/mol
LogP1.79
Rot. Bonds7

About 1-[2-[4-fluoro-2-[(5-morpholin-4-yl-7H-cyclopenta[b]pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide

1-[2-[4-fluoro-2-[(5-morpholin-4-yl-7H-cyclopenta[b]pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (PubChem CID 148579931) has the molecular formula C31H30FN9O4 and a molecular weight of 611.64 g/mol. Its IUPAC name is 1-[2-[4-fluoro-2-[(5-morpholin-4-yl-7H-cyclopenta[b]pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-fluoro-2-[(5-morpholin-4-yl-7H-cyclopenta[b]pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
PubChem CID148579931
Molecular FormulaC31H30FN9O4
Molecular Weight611.64 g/mol
Exact Mass611.24
IUPAC Name1-[2-[4-fluoro-2-[(5-morpholin-4-yl-7H-cyclopenta[b]pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2cnc3c(c2)C(N2CCOCC2)=CC3)c2ccc(-c3ccnnc3)cc12
InChIInChI=1S/C31H30FN9O4/c32-20-12-27(31(44)37-21-13-22-24(34-15-21)2-4-25(22)39-7-9-45-10-8-39)40(16-20)28(42)17-41-26-3-1-18(19-5-6-35-36-14-19)11-23(26)29(38-41)30(33)43/h1,3-6,11,13-15,20,27H,2,7-10,12,16-17H2,(H2,33,43)(H,37,44)
InChIKeyMYNSAOSJQBSDCT-UHFFFAOYSA-N
XLogP1.79
TPSA161.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.64
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[2-[4-fluoro-2-[(5-morpholin-4-yl-7H-cyclopenta[b]pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide with MolForge

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CID 162646482

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-fluoro-2-[(5-morpholin-4-yl-7H-cyclopenta[b]pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The IUPAC name of 1-[2-[4-fluoro-2-[(5-morpholin-4-yl-7H-cyclopenta[b]pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide (CID 148579931) is 1-[2-[4-fluoro-2-[(5-morpholin-4-yl-7H-cyclopenta[b]pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide.
What is the SMILES notation for 1-[2-[4-fluoro-2-[(5-morpholin-4-yl-7H-cyclopenta[b]pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The canonical SMILES for 1-[2-[4-fluoro-2-[(5-morpholin-4-yl-7H-cyclopenta[b]pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is NC(=O)c1nn(CC(=O)N2CC(F)CC2C(=O)Nc2cnc3c(c2)C(N2CCOCC2)=CC3)c2ccc(-c3ccnnc3)cc12.
What is the InChIKey of 1-[2-[4-fluoro-2-[(5-morpholin-4-yl-7H-cyclopenta[b]pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
The InChIKey is MYNSAOSJQBSDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30FN9O4/c32-20-12-27(31(44)37-21-13-22-24(34-15-21)2-4-25(22)39-7-9-45-10-8-39)40(16-20)28(42)17-41-26-3-1-18(19-5-6-35-36-14-19)11-23(26)29(38-41)30(33)43/h1,3-6,11,13-15,20,27H,2,7-10,12,16-17H2,(H2,33,43)(H,37,44).
What are the key properties of 1-[2-[4-fluoro-2-[(5-morpholin-4-yl-7H-cyclopenta[b]pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide?
1-[2-[4-fluoro-2-[(5-morpholin-4-yl-7H-cyclopenta[b]pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide has a molecular weight of 611.64 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-fluoro-2-[(5-morpholin-4-yl-7H-cyclopenta[b]pyridin-3-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide is sourced from PubChem (CID 148579931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).