N-[2-[2-[4-[[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]indazol-5-yl]acetamide

C28H26F2N10O2 — CID 156640414

IUPACN-[2-[2-[4-[[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]indazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2nn(-c3ccnc(C(=O)N4CCN(C(c5ccccc5)c5nnn(C(F)F)n5)CC4)c3)cc2c1
InChIInChI=1S/C28H26F2N10O2/c1-18(41)32-21-7-8-23-20(15-21)17-39(34-23)22-9-10-31-24(16-22)27(42)38-13-11-37(12-14-38)25(19-5-3-2-4-6-19)26-33-36-40(35-26)28(29)30/h2-10,15-17,25,28H,11-14H2,1H3,(H,32,41)
InChIKeySBISTBHENLJLNQ-UHFFFAOYSA-N
MW572.58 g/mol
LogP3.31
Rot. Bonds7

About N-[2-[2-[4-[[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]indazol-5-yl]acetamide

N-[2-[2-[4-[[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]indazol-5-yl]acetamide (PubChem CID 156640414) has the molecular formula C28H26F2N10O2 and a molecular weight of 572.58 g/mol. Its IUPAC name is N-[2-[2-[4-[[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]indazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[4-[[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]indazol-5-yl]acetamide
PubChem CID156640414
Molecular FormulaC28H26F2N10O2
Molecular Weight572.58 g/mol
Exact Mass572.22
IUPAC NameN-[2-[2-[4-[[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]indazol-5-yl]acetamide
SMILESCC(=O)Nc1ccc2nn(-c3ccnc(C(=O)N4CCN(C(c5ccccc5)c5nnn(C(F)F)n5)CC4)c3)cc2c1
InChIInChI=1S/C28H26F2N10O2/c1-18(41)32-21-7-8-23-20(15-21)17-39(34-23)22-9-10-31-24(16-22)27(42)38-13-11-37(12-14-38)25(19-5-3-2-4-6-19)26-33-36-40(35-26)28(29)30/h2-10,15-17,25,28H,11-14H2,1H3,(H,32,41)
InChIKeySBISTBHENLJLNQ-UHFFFAOYSA-N
XLogP3.31
TPSA126.96 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.58
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[2-[2-[4-[(S)-[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]indazol-5-yl]acetamide
CID 167408045
N-[2-[2-[4-[(R)-[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-5-fluoro-4-pyridinyl]-1,3-benzoxazol-5-yl]acetamide
CID 167408137
trans-(1S,2R)-N-[2-[2-[4-[(S)-[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 167408077
N-[2-[2-[4-[(S)-[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]methanesulfonamide
CID 167407989
N-[2-[2-[4-[[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]oxetane-2-carboxamide
CID 167408331
[4-[[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazin-1-yl]-[4-(4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridin-2-yl)-2-pyridinyl]methanone
CID 156640422
[4-[(R)-[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazin-1-yl]-[4-[5-(1,3-oxazol-2-yl)-1,3-benzoxazol-2-yl]-2-pyridinyl]methanone
CID 167408316
[4-[(R)-[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazin-1-yl]-[4-[5-(2-methyltriazol-4-yl)-1,3-benzoxazol-2-yl]-2-pyridinyl]methanone
CID 167408104
[4-[(S)-[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazin-1-yl]-[4-[5-(1,3-thiazol-2-yl)-1,3-benzoxazol-2-yl]-2-pyridinyl]methanone
CID 167408055
N-[2-[2-[4-[(4-methylphenyl)-(2-methyltetrazol-5-yl)methyl]piperazine-1-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]acetamide
CID 164624559
N-[2-[2-[4-[(S)-(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]acetamide
CID 153308979
(2S)-2-fluoro-N-[2-[2-[4-[(R)-phenyl-[2-(trideuteriomethyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]cyclopropane-1-carboxamide
CID 167408075

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-[[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]indazol-5-yl]acetamide?
The IUPAC name of N-[2-[2-[4-[[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]indazol-5-yl]acetamide (CID 156640414) is N-[2-[2-[4-[[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]indazol-5-yl]acetamide.
What is the SMILES notation for N-[2-[2-[4-[[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]indazol-5-yl]acetamide?
The canonical SMILES for N-[2-[2-[4-[[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]indazol-5-yl]acetamide is CC(=O)Nc1ccc2nn(-c3ccnc(C(=O)N4CCN(C(c5ccccc5)c5nnn(C(F)F)n5)CC4)c3)cc2c1.
What is the InChIKey of N-[2-[2-[4-[[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]indazol-5-yl]acetamide?
The InChIKey is SBISTBHENLJLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N10O2/c1-18(41)32-21-7-8-23-20(15-21)17-39(34-23)22-9-10-31-24(16-22)27(42)38-13-11-37(12-14-38)25(19-5-3-2-4-6-19)26-33-36-40(35-26)28(29)30/h2-10,15-17,25,28H,11-14H2,1H3,(H,32,41).
What are the key properties of N-[2-[2-[4-[[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]indazol-5-yl]acetamide?
N-[2-[2-[4-[[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]indazol-5-yl]acetamide has a molecular weight of 572.58 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-[[2-(difluoromethyl)tetrazol-5-yl]-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]indazol-5-yl]acetamide is sourced from PubChem (CID 156640414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).