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5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide

C28H33N7O2 — CID 123261409

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide
SMILESO=C(NC1C=CC(CN2CCCC2)=NC1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C28H33N7O2/c36-28(31-23-4-5-24(30-17-23)19-34-7-1-2-8-34)27-25-14-21(3-6-26(25)32-33-27)22-13-20(15-29-16-22)18-35-9-11-37-12-10-35/h3-6,13-16,23H,1-2,7-12,17-19H2,(H,31,36)(H,32,33)
InChIKeyGVQJCXIKIFLRRE-UHFFFAOYSA-N
MW499.62 g/mol
LogP2.66
Rot. Bonds7

About 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide

5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide (PubChem CID 123261409) has the molecular formula C28H33N7O2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide
PubChem CID123261409
Molecular FormulaC28H33N7O2
Molecular Weight499.62 g/mol
Exact Mass499.27
IUPAC Name5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide
SMILESO=C(NC1C=CC(CN2CCCC2)=NC1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
InChIInChI=1S/C28H33N7O2/c36-28(31-23-4-5-24(30-17-23)19-34-7-1-2-8-34)27-25-14-21(3-6-26(25)32-33-27)22-13-20(15-29-16-22)18-35-9-11-37-12-10-35/h3-6,13-16,23H,1-2,7-12,17-19H2,(H,31,36)(H,32,33)
InChIKeyGVQJCXIKIFLRRE-UHFFFAOYSA-N
XLogP2.66
TPSA98.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide (CID 123261409) is 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide is O=C(NC1C=CC(CN2CCCC2)=NC1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.
What is the InChIKey of 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide?
The InChIKey is GVQJCXIKIFLRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2/c36-28(31-23-4-5-24(30-17-23)19-34-7-1-2-8-34)27-25-14-21(3-6-26(25)32-33-27)22-13-20(15-29-16-22)18-35-9-11-37-12-10-35/h3-6,13-16,23H,1-2,7-12,17-19H2,(H,31,36)(H,32,33).
What are the key properties of 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide?
5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-2,3-dihydropyridin-3-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 123261409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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