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4,5,7,7-tetramethyl-N-[3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide

C26H31N11O — CID 156866685

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4,5,7,7-tetramethyl-N-[3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCN[C@@H](C)C5)c4)c3c2)C(C)(C)n2nnnc2N1C
InChIInChI=1S/C26H31N11O/c1-15-14-36(11-10-27-15)21-12-17(8-9-28-21)23-19-13-18(6-7-20(19)30-31-23)29-24(38)22-16(2)35(5)25-32-33-34-37(25)26(22,3)4/h6-9,12-13,15,27H,10-11,14H2,1-5H3,(H,29,38)(H,30,31)/t15-/m0/s1
InChIKeyOATZHAVLBCFHSK-HNNXBMFYSA-N
MW513.61 g/mol
LogP2.51
Rot. Bonds4

About 4,5,7,7-tetramethyl-N-[3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide

4,5,7,7-tetramethyl-N-[3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 156866685) has the molecular formula C26H31N11O and a molecular weight of 513.61 g/mol. Its IUPAC name is 4,5,7,7-tetramethyl-N-[3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name4,5,7,7-tetramethyl-N-[3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID156866685
Molecular FormulaC26H31N11O
Molecular Weight513.61 g/mol
Exact Mass513.27
IUPAC Name4,5,7,7-tetramethyl-N-[3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCN[C@@H](C)C5)c4)c3c2)C(C)(C)n2nnnc2N1C
InChIInChI=1S/C26H31N11O/c1-15-14-36(11-10-27-15)21-12-17(8-9-28-21)23-19-13-18(6-7-20(19)30-31-23)29-24(38)22-16(2)35(5)25-32-33-34-37(25)26(22,3)4/h6-9,12-13,15,27H,10-11,14H2,1-5H3,(H,29,38)(H,30,31)/t15-/m0/s1
InChIKeyOATZHAVLBCFHSK-HNNXBMFYSA-N
XLogP2.51
TPSA132.78 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.61
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4,5,7,7-tetramethyl-N-[3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5,7,7-tetramethyl-N-[3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 4,5,7,7-tetramethyl-N-[3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 156866685) is 4,5,7,7-tetramethyl-N-[3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 4,5,7,7-tetramethyl-N-[3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 4,5,7,7-tetramethyl-N-[3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCN[C@@H](C)C5)c4)c3c2)C(C)(C)n2nnnc2N1C.
What is the InChIKey of 4,5,7,7-tetramethyl-N-[3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is OATZHAVLBCFHSK-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H31N11O/c1-15-14-36(11-10-27-15)21-12-17(8-9-28-21)23-19-13-18(6-7-20(19)30-31-23)29-24(38)22-16(2)35(5)25-32-33-34-37(25)26(22,3)4/h6-9,12-13,15,27H,10-11,14H2,1-5H3,(H,29,38)(H,30,31)/t15-/m0/s1.
What are the key properties of 4,5,7,7-tetramethyl-N-[3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide?
4,5,7,7-tetramethyl-N-[3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 513.61 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7,7-tetramethyl-N-[3-[2-[(3S)-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]tetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 156866685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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