2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide

C28H30N8O — CID 136643029

IUPAC2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C28H30N8O/c1-28(2,3)27(37)31-19-11-18(13-29-14-19)17-7-8-21-20(12-17)24(35-34-21)26-32-22-15-30-16-23(25(22)33-26)36-9-5-4-6-10-36/h7-8,11-16H,4-6,9-10H2,1-3H3,(H,31,37)(H,32,33)(H,34,35)
InChIKeyUFKLOBIPRXZFGK-UHFFFAOYSA-N
MW494.60 g/mol
LogP5.54
Rot. Bonds4

About 2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide

2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide (PubChem CID 136643029) has the molecular formula C28H30N8O and a molecular weight of 494.60 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
PubChem CID136643029
Molecular FormulaC28H30N8O
Molecular Weight494.60 g/mol
Exact Mass494.25
IUPAC Name2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C28H30N8O/c1-28(2,3)27(37)31-19-11-18(13-29-14-19)17-7-8-21-20(12-17)24(35-34-21)26-32-22-15-30-16-23(25(22)33-26)36-9-5-4-6-10-36/h7-8,11-16H,4-6,9-10H2,1-3H3,(H,31,37)(H,32,33)(H,34,35)
InChIKeyUFKLOBIPRXZFGK-UHFFFAOYSA-N
XLogP5.54
TPSA115.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.60
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide (CID 136643029) is 2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide is CC(C)(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(N6CCCCC6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of 2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide?
The InChIKey is UFKLOBIPRXZFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N8O/c1-28(2,3)27(37)31-19-11-18(13-29-14-19)17-7-8-21-20(12-17)24(35-34-21)26-32-22-15-30-16-23(25(22)33-26)36-9-5-4-6-10-36/h7-8,11-16H,4-6,9-10H2,1-3H3,(H,31,37)(H,32,33)(H,34,35).
What are the key properties of 2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide?
2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide has a molecular weight of 494.60 g/mol, XLogP of 5.54, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-[3-(7-piperidin-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide is sourced from PubChem (CID 136643029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).