N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

C21H29N5O2 — CID 131925719

IUPACN-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESO=C(CCc1n[nH]c2c1CCCC2)NCC(c1cccnc1)N1CCOCC1
InChIInChI=1S/C21H29N5O2/c27-21(8-7-19-17-5-1-2-6-18(17)24-25-19)23-15-20(16-4-3-9-22-14-16)26-10-12-28-13-11-26/h3-4,9,14,20H,1-2,5-8,10-13,15H2,(H,23,27)(H,24,25)
InChIKeyWLCRPIWMZRONHL-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.81
Rot. Bonds7

About N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (PubChem CID 131925719) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
PubChem CID131925719
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESO=C(CCc1n[nH]c2c1CCCC2)NCC(c1cccnc1)N1CCOCC1
InChIInChI=1S/C21H29N5O2/c27-21(8-7-19-17-5-1-2-6-18(17)24-25-19)23-15-20(16-4-3-9-22-14-16)26-10-12-28-13-11-26/h3-4,9,14,20H,1-2,5-8,10-13,15H2,(H,23,27)(H,24,25)
InChIKeyWLCRPIWMZRONHL-UHFFFAOYSA-N
XLogP1.81
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-1H-indazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The IUPAC name of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (CID 131925719) is N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is O=C(CCc1n[nH]c2c1CCCC2)NCC(c1cccnc1)N1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The InChIKey is WLCRPIWMZRONHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c27-21(8-7-19-17-5-1-2-6-18(17)24-25-19)23-15-20(16-4-3-9-22-14-16)26-10-12-28-13-11-26/h3-4,9,14,20H,1-2,5-8,10-13,15H2,(H,23,27)(H,24,25).
What are the key properties of N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide has a molecular weight of 383.50 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is sourced from PubChem (CID 131925719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).