4-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-2-pyridinyl]-N,N-dimethylpiperidine-1-carboxamide

C26H27Cl2N7O2 — CID 174339067

IUPAC4-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-2-pyridinyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(c2ccc(-c3n[nH]c4ccc(O[C@H](N)c5c(Cl)cncc5Cl)cc34)cn2)CC1
InChIInChI=1S/C26H27Cl2N7O2/c1-34(2)26(36)35-9-7-15(8-10-35)21-5-3-16(12-31-21)24-18-11-17(4-6-22(18)32-33-24)37-25(29)23-19(27)13-30-14-20(23)28/h3-6,11-15,25H,7-10,29H2,1-2H3,(H,32,33)/t25-/m0/s1
InChIKeyCPZTVDQLSAWDPA-VWLOTQADSA-N
MW540.46 g/mol
LogP5.22
Rot. Bonds5

About 4-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-2-pyridinyl]-N,N-dimethylpiperidine-1-carboxamide

4-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-2-pyridinyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 174339067) has the molecular formula C26H27Cl2N7O2 and a molecular weight of 540.46 g/mol. Its IUPAC name is 4-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-2-pyridinyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-2-pyridinyl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID174339067
Molecular FormulaC26H27Cl2N7O2
Molecular Weight540.46 g/mol
Exact Mass539.16
IUPAC Name4-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-2-pyridinyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(c2ccc(-c3n[nH]c4ccc(O[C@H](N)c5c(Cl)cncc5Cl)cc34)cn2)CC1
InChIInChI=1S/C26H27Cl2N7O2/c1-34(2)26(36)35-9-7-15(8-10-35)21-5-3-16(12-31-21)24-18-11-17(4-6-22(18)32-33-24)37-25(29)23-19(27)13-30-14-20(23)28/h3-6,11-15,25H,7-10,29H2,1-2H3,(H,32,33)/t25-/m0/s1
InChIKeyCPZTVDQLSAWDPA-VWLOTQADSA-N
XLogP5.22
TPSA113.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.46
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-2-pyridinyl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-2-pyridinyl]-N,N-dimethylpiperidine-1-carboxamide (CID 174339067) is 4-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-2-pyridinyl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-2-pyridinyl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-2-pyridinyl]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(c2ccc(-c3n[nH]c4ccc(O[C@H](N)c5c(Cl)cncc5Cl)cc34)cn2)CC1.
What is the InChIKey of 4-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-2-pyridinyl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is CPZTVDQLSAWDPA-VWLOTQADSA-N. The full InChI is InChI=1S/C26H27Cl2N7O2/c1-34(2)26(36)35-9-7-15(8-10-35)21-5-3-16(12-31-21)24-18-11-17(4-6-22(18)32-33-24)37-25(29)23-19(27)13-30-14-20(23)28/h3-6,11-15,25H,7-10,29H2,1-2H3,(H,32,33)/t25-/m0/s1.
What are the key properties of 4-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-2-pyridinyl]-N,N-dimethylpiperidine-1-carboxamide?
4-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-2-pyridinyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 540.46 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-[(S)-amino-(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-2-pyridinyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 174339067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).