6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide

C21H20N6O — CID 118663799

IUPAC6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide
SMILESCCC(N)c1cccc(-c2ccc3cnn(-c4cccc(C(N)=O)n4)c3c2)n1
InChIInChI=1S/C21H20N6O/c1-2-15(22)17-6-3-5-16(25-17)13-9-10-14-12-24-27(19(14)11-13)20-8-4-7-18(26-20)21(23)28/h3-12,15H,2,22H2,1H3,(H2,23,28)
InChIKeyWERLEFNILGPRRA-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.99
Rot. Bonds5

About 6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide

6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide (PubChem CID 118663799) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide
PubChem CID118663799
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide
SMILESCCC(N)c1cccc(-c2ccc3cnn(-c4cccc(C(N)=O)n4)c3c2)n1
InChIInChI=1S/C21H20N6O/c1-2-15(22)17-6-3-5-16(25-17)13-9-10-14-12-24-27(19(14)11-13)20-8-4-7-18(26-20)21(23)28/h3-12,15H,2,22H2,1H3,(H2,23,28)
InChIKeyWERLEFNILGPRRA-UHFFFAOYSA-N
XLogP2.99
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide (CID 118663799) is 6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide is CCC(N)c1cccc(-c2ccc3cnn(-c4cccc(C(N)=O)n4)c3c2)n1.
What is the InChIKey of 6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide?
The InChIKey is WERLEFNILGPRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-2-15(22)17-6-3-5-16(25-17)13-9-10-14-12-24-27(19(14)11-13)20-8-4-7-18(26-20)21(23)28/h3-12,15H,2,22H2,1H3,(H2,23,28).
What are the key properties of 6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide?
6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[6-(1-aminopropyl)-2-pyridinyl]indazol-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118663799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).