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

C49H57N15O5 — CID 156866616

IUPACN-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCN(CC6CCN(CC7CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)CC7)CC6)[C@@H](C)C5)c4)c3c2)Cn2nnnc2N1C
InChIInChI=1S/C49H57N15O5/c1-29-25-62(42-22-33(10-15-50-42)44-38-23-34(4-7-40(38)53-54-44)51-45(66)39-28-63-49(55-56-57-63)58(3)30(39)2)21-20-61(29)27-32-11-16-59(17-12-32)26-31-13-18-60(19-14-31)35-5-6-36-37(24-35)48(69)64(47(36)68)41-8-9-43(65)52-46(41)67/h4-7,10,15,22-24,29,31-32,41H,8-9,11-14,16-21,25-28H2,1-3H3,(H,51,66)(H,53,54)(H,52,65,67)/t29-,41?/m0/s1
InChIKeySYVIZBAZDWJBPG-XLSVDPLXSA-N
MW936.09 g/mol
LogP3.51
Rot. Bonds10

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

N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 156866616) has the molecular formula C49H57N15O5 and a molecular weight of 936.09 g/mol. Its IUPAC name is N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID156866616
Molecular FormulaC49H57N15O5
Molecular Weight936.09 g/mol
Exact Mass935.47
IUPAC NameN-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCN(CC6CCN(CC7CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)CC7)CC6)[C@@H](C)C5)c4)c3c2)Cn2nnnc2N1C
InChIInChI=1S/C49H57N15O5/c1-29-25-62(42-22-33(10-15-50-42)44-38-23-34(4-7-40(38)53-54-44)51-45(66)39-28-63-49(55-56-57-63)58(3)30(39)2)21-20-61(29)27-32-11-16-59(17-12-32)26-31-13-18-60(19-14-31)35-5-6-36-37(24-35)48(69)64(47(36)68)41-8-9-43(65)52-46(41)67/h4-7,10,15,22-24,29,31-32,41H,8-9,11-14,16-21,25-28H2,1-3H3,(H,51,66)(H,53,54)(H,52,65,67)/t29-,41?/m0/s1
InChIKeySYVIZBAZDWJBPG-XLSVDPLXSA-N
XLogP3.51
TPSA214.02 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.09
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide (CID 156866616) is N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccc3[nH]nc(-c4ccnc(N5CCN(CC6CCN(CC7CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)CC7)CC6)[C@@H](C)C5)c4)c3c2)Cn2nnnc2N1C.
What is the InChIKey of N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is SYVIZBAZDWJBPG-XLSVDPLXSA-N. The full InChI is InChI=1S/C49H57N15O5/c1-29-25-62(42-22-33(10-15-50-42)44-38-23-34(4-7-40(38)53-54-44)51-45(66)39-28-63-49(55-56-57-63)58(3)30(39)2)21-20-61(29)27-32-11-16-59(17-12-32)26-31-13-18-60(19-14-31)35-5-6-36-37(24-35)48(69)64(47(36)68)41-8-9-43(65)52-46(41)67/h4-7,10,15,22-24,29,31-32,41H,8-9,11-14,16-21,25-28H2,1-3H3,(H,51,66)(H,53,54)(H,52,65,67)/t29-,41?/m0/s1.
What are the key properties of N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide?
N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 936.09 g/mol, XLogP of 3.51, 10 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(3S)-4-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperidin-4-yl]methyl]-3-methylpiperazin-1-yl]-4-pyridinyl]-1H-indazol-5-yl]-4,5-dimethyl-7H-tetrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 156866616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).