N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-(piperidin-1-ylmethyl)benzamide

C32H35F2N5O2 — CID 59577356

IUPACN-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)c1ccc(CN2CCCCC2)cc1NC1CCOCC1
InChIInChI=1S/C32H35F2N5O2/c33-24-15-23(16-25(34)19-24)14-21-5-7-29-28(17-21)31(38-37-29)36-32(40)27-6-4-22(20-39-10-2-1-3-11-39)18-30(27)35-26-8-12-41-13-9-26/h4-7,15-19,26,35H,1-3,8-14,20H2,(H2,36,37,38,40)
InChIKeyQDOTUHIGOCRMSM-UHFFFAOYSA-N
MW559.66 g/mol
LogP6.26
Rot. Bonds8

About N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-(piperidin-1-ylmethyl)benzamide

N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 59577356) has the molecular formula C32H35F2N5O2 and a molecular weight of 559.66 g/mol. Its IUPAC name is N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-(piperidin-1-ylmethyl)benzamide
PubChem CID59577356
Molecular FormulaC32H35F2N5O2
Molecular Weight559.66 g/mol
Exact Mass559.28
IUPAC NameN-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)c1ccc(CN2CCCCC2)cc1NC1CCOCC1
InChIInChI=1S/C32H35F2N5O2/c33-24-15-23(16-25(34)19-24)14-21-5-7-29-28(17-21)31(38-37-29)36-32(40)27-6-4-22(20-39-10-2-1-3-11-39)18-30(27)35-26-8-12-41-13-9-26/h4-7,15-19,26,35H,1-3,8-14,20H2,(H2,36,37,38,40)
InChIKeyQDOTUHIGOCRMSM-UHFFFAOYSA-N
XLogP6.26
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.66
LogP ≤ 56.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-(piperidin-1-ylmethyl)benzamide (CID 59577356) is N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-(piperidin-1-ylmethyl)benzamide is O=C(Nc1n[nH]c2ccc(Cc3cc(F)cc(F)c3)cc12)c1ccc(CN2CCCCC2)cc1NC1CCOCC1.
What is the InChIKey of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is QDOTUHIGOCRMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35F2N5O2/c33-24-15-23(16-25(34)19-24)14-21-5-7-29-28(17-21)31(38-37-29)36-32(40)27-6-4-22(20-39-10-2-1-3-11-39)18-30(27)35-26-8-12-41-13-9-26/h4-7,15-19,26,35H,1-3,8-14,20H2,(H2,36,37,38,40).
What are the key properties of N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-(piperidin-1-ylmethyl)benzamide?
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 559.66 g/mol, XLogP of 6.26, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(oxan-4-ylamino)-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 59577356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).