5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine

C56H58N14 — CID 145252799

IUPAC5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine
SMILESC=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCC(c7cc(-c8cncc(CNCC)c8)cc8c(-c9cc%10c(N%11CCCCC%11)cncc%10[nH]9)[nH]nc78)C6)cncc5[nH]4)c3c2)c1)C(C)C
InChIInChI=1S/C56H58N14/c1-5-57-23-35-16-39(25-58-24-35)38-19-42(54-46(20-38)56(68-66-54)49-21-43-50(64-49)28-60-30-52(43)69-13-7-6-8-14-69)37-10-9-15-70(32-37)53-31-61-29-51-44(53)22-48(63-51)55-45-18-36(11-12-47(45)65-67-55)40-17-41(27-59-26-40)62-34(4)33(2)3/h11-12,16-22,24-31,33,37,57,62-64H,4-10,13-15,23,32H2,1-3H3,(H,65,67)(H,66,68)
InChIKeyLIQYUTCVYQFGNN-UHFFFAOYSA-N
MW927.18 g/mol
LogP11.72
Rot. Bonds13

About 5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine

5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine (PubChem CID 145252799) has the molecular formula C56H58N14 and a molecular weight of 927.18 g/mol. Its IUPAC name is 5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine
PubChem CID145252799
Molecular FormulaC56H58N14
Molecular Weight927.18 g/mol
Exact Mass926.50
IUPAC Name5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine
SMILESC=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCC(c7cc(-c8cncc(CNCC)c8)cc8c(-c9cc%10c(N%11CCCCC%11)cncc%10[nH]9)[nH]nc78)C6)cncc5[nH]4)c3c2)c1)C(C)C
InChIInChI=1S/C56H58N14/c1-5-57-23-35-16-39(25-58-24-35)38-19-42(54-46(20-38)56(68-66-54)49-21-43-50(64-49)28-60-30-52(43)69-13-7-6-8-14-69)37-10-9-15-70(32-37)53-31-61-29-51-44(53)22-48(63-51)55-45-18-36(11-12-47(45)65-67-55)40-17-41(27-59-26-40)62-34(4)33(2)3/h11-12,16-22,24-31,33,37,57,62-64H,4-10,13-15,23,32H2,1-3H3,(H,65,67)(H,66,68)
InChIKeyLIQYUTCVYQFGNN-UHFFFAOYSA-N
XLogP11.72
TPSA171.04 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500927.18
LogP ≤ 511.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(2h-1,2,3-triazol-2-yl)-1h-indazole
CID 135559067
5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 71253727
N-[(2S)-2-amino-3-phenylpropyl]-5-(3-methyl-1H-indazol-5-yl)pyridin-3-amine
CID 23647013
6-(5-methyl-1H-1,2,3-triazol-1-yl)-3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazole
CID 135559065
3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-6-(1H-pyrazol-1-yl)-1H-indazole
CID 135559066
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137039626
5-(3-pyridinyl)-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-Indazole
CID 137088071
5-(4-methyl-3-pyridinyl)-3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-indazole
CID 137116186
4-pyridin-3-yl-2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-pyrrolo[2,3-c]pyridine
CID 137116773
US10660877, Example 692
CID 139447345
3-(5-methyl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 136199391

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine?
The IUPAC name of 5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine (CID 145252799) is 5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine.
What is the SMILES notation for 5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine?
The canonical SMILES for 5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine is C=C(Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(N6CCCC(c7cc(-c8cncc(CNCC)c8)cc8c(-c9cc%10c(N%11CCCCC%11)cncc%10[nH]9)[nH]nc78)C6)cncc5[nH]4)c3c2)c1)C(C)C.
What is the InChIKey of 5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine?
The InChIKey is LIQYUTCVYQFGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H58N14/c1-5-57-23-35-16-39(25-58-24-35)38-19-42(54-46(20-38)56(68-66-54)49-21-43-50(64-49)28-60-30-52(43)69-13-7-6-8-14-69)37-10-9-15-70(32-37)53-31-61-29-51-44(53)22-48(63-51)55-45-18-36(11-12-47(45)65-67-55)40-17-41(27-59-26-40)62-34(4)33(2)3/h11-12,16-22,24-31,33,37,57,62-64H,4-10,13-15,23,32H2,1-3H3,(H,65,67)(H,66,68).
What are the key properties of 5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine?
5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine has a molecular weight of 927.18 g/mol, XLogP of 11.72, 13 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[3-[5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-2H-indazol-7-yl]piperidin-1-yl]-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine is sourced from PubChem (CID 145252799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).