N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride

C23H37Cl2N5O2 — CID 21252891

IUPACN-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride
SMILESCC(C)n1nc(C(=O)NCC2CCN(CCN3CCOCC3)CC2)c2ccccc21.Cl.Cl
InChIInChI=1S/C23H35N5O2.2ClH/c1-18(2)28-21-6-4-3-5-20(21)22(25-28)23(29)24-17-19-7-9-26(10-8-19)11-12-27-13-15-30-16-14-27;;/h3-6,18-19H,7-17H2,1-2H3,(H,24,29);2*1H
InChIKeyFBJBOIWNNPBFCD-UHFFFAOYSA-N
MW486.49 g/mol
LogP3.23
Rot. Bonds7

About N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride

N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride (PubChem CID 21252891) has the molecular formula C23H37Cl2N5O2 and a molecular weight of 486.49 g/mol. Its IUPAC name is N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride
PubChem CID21252891
Molecular FormulaC23H37Cl2N5O2
Molecular Weight486.49 g/mol
Exact Mass485.23
IUPAC NameN-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride
SMILESCC(C)n1nc(C(=O)NCC2CCN(CCN3CCOCC3)CC2)c2ccccc21.Cl.Cl
InChIInChI=1S/C23H35N5O2.2ClH/c1-18(2)28-21-6-4-3-5-20(21)22(25-28)23(29)24-17-19-7-9-26(10-8-19)11-12-27-13-15-30-16-14-27;;/h3-6,18-19H,7-17H2,1-2H3,(H,24,29);2*1H
InChIKeyFBJBOIWNNPBFCD-UHFFFAOYSA-N
XLogP3.23
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-((1S)-1-(Aminocarbonyl)-2-methylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide
CID 58124325
(3H)granisetron
CID 3510
Brl 43694A
CID 65264
AB-Pinaca
CID 71301472
Adb-butinaca
CID 155907792
AB-Chminaca
CID 44206133
Granisetron (JAN/USAN/INN)
CID 5284566
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-pentyl-1H-indazole-3-carboxamide
CID 86567422
methyl (1-(5-fluoropentyl)-1H-indazole-3-carbonyl)valinate
CID 119025812
MDMB-4en-PINACA
CID 155804661
Granisetron hydrochloride (JAN/USP)
CID 6918003
MDMB-Fubinaca
CID 119025665

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride?
The IUPAC name of N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride (CID 21252891) is N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride is CC(C)n1nc(C(=O)NCC2CCN(CCN3CCOCC3)CC2)c2ccccc21.Cl.Cl.
What is the InChIKey of N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride?
The InChIKey is FBJBOIWNNPBFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2.2ClH/c1-18(2)28-21-6-4-3-5-20(21)22(25-28)23(29)24-17-19-7-9-26(10-8-19)11-12-27-13-15-30-16-14-27;;/h3-6,18-19H,7-17H2,1-2H3,(H,24,29);2*1H.
What are the key properties of N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride?
N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride has a molecular weight of 486.49 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;dihydrochloride is sourced from PubChem (CID 21252891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).