7-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine;5-[2-(ethylamino)-4-pyridinyl]-1H-indazol-3-amine

C27H24BrN11 — CID 170351784

IUPAC7-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine;5-[2-(ethylamino)-4-pyridinyl]-1H-indazol-3-amine
SMILESCCNc1cc(-c2ccc3[nH]nc(N)c3c2)ccn1.Nc1n[nH]c2c(Br)cc(-c3ncnc4[nH]ccc34)cc12
InChIInChI=1S/C14H15N5.C13H9BrN6/c1-2-16-13-8-10(5-6-17-13)9-3-4-12-11(7-9)14(15)19-18-12;14-9-4-6(3-8-11(9)19-20-12(8)15)10-7-1-2-16-13(7)18-5-17-10/h3-8H,2H2,1H3,(H,16,17)(H3,15,18,19);1-5H,(H3,15,19,20)(H,16,17,18)
InChIKeyBNQPMCXRIQYOLK-UHFFFAOYSA-N
MW582.47 g/mol
LogP5.48
Rot. Bonds4

About 7-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine;5-[2-(ethylamino)-4-pyridinyl]-1H-indazol-3-amine

7-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine;5-[2-(ethylamino)-4-pyridinyl]-1H-indazol-3-amine (PubChem CID 170351784) has the molecular formula C27H24BrN11 and a molecular weight of 582.47 g/mol. Its IUPAC name is 7-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine;5-[2-(ethylamino)-4-pyridinyl]-1H-indazol-3-amine.

Molecular Properties

Compound Name7-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine;5-[2-(ethylamino)-4-pyridinyl]-1H-indazol-3-amine
PubChem CID170351784
Molecular FormulaC27H24BrN11
Molecular Weight582.47 g/mol
Exact Mass581.14
IUPAC Name7-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine;5-[2-(ethylamino)-4-pyridinyl]-1H-indazol-3-amine
SMILESCCNc1cc(-c2ccc3[nH]nc(N)c3c2)ccn1.Nc1n[nH]c2c(Br)cc(-c3ncnc4[nH]ccc34)cc12
InChIInChI=1S/C14H15N5.C13H9BrN6/c1-2-16-13-8-10(5-6-17-13)9-3-4-12-11(7-9)14(15)19-18-12;14-9-4-6(3-8-11(9)19-20-12(8)15)10-7-1-2-16-13(7)18-5-17-10/h3-8H,2H2,1H3,(H,16,17)(H3,15,18,19);1-5H,(H3,15,19,20)(H,16,17,18)
InChIKeyBNQPMCXRIQYOLK-UHFFFAOYSA-N
XLogP5.48
TPSA175.89 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500582.47
LogP ≤ 55.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

7-bromo-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-indazol-3-amine
CID 170351909
1-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-ethylurea
CID 170352441
5-[2-(benzylamino)-4-pyridinyl]-1H-indazol-3-amine
CID 172571090
5-[2-(propan-2-ylamino)-4-pyridinyl]-1H-indazol-3-amine
CID 170352224
N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]-3-methylbutanamide
CID 170352373
5-[2-(2-pyridin-4-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine
CID 172571058
N-[4-(3-amino-7-bromo-1H-indazol-5-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 170352157
5-[2-[[4-(trifluoromethyl)phenyl]methylamino]-4-pyridinyl]-1H-indazol-3-amine
CID 172570883
5-[2-(2-pyridin-2-ylethylamino)-4-pyridinyl]-1H-indazol-3-amine
CID 172571136
5-[2-(4-propoxyanilino)-4-pyridinyl]-1H-indazol-3-amine
CID 172571033
5-(3-amino-1H-indazol-5-yl)-N-ethyl-1,3,4-oxadiazol-2-amine
CID 25108868
5-(2-propan-2-yl-4-pyridinyl)-1H-indazol-3-amine
CID 58588585

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine;5-[2-(ethylamino)-4-pyridinyl]-1H-indazol-3-amine?
The IUPAC name of 7-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine;5-[2-(ethylamino)-4-pyridinyl]-1H-indazol-3-amine (CID 170351784) is 7-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine;5-[2-(ethylamino)-4-pyridinyl]-1H-indazol-3-amine.
What is the SMILES notation for 7-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine;5-[2-(ethylamino)-4-pyridinyl]-1H-indazol-3-amine?
The canonical SMILES for 7-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine;5-[2-(ethylamino)-4-pyridinyl]-1H-indazol-3-amine is CCNc1cc(-c2ccc3[nH]nc(N)c3c2)ccn1.Nc1n[nH]c2c(Br)cc(-c3ncnc4[nH]ccc34)cc12.
What is the InChIKey of 7-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine;5-[2-(ethylamino)-4-pyridinyl]-1H-indazol-3-amine?
The InChIKey is BNQPMCXRIQYOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5.C13H9BrN6/c1-2-16-13-8-10(5-6-17-13)9-3-4-12-11(7-9)14(15)19-18-12;14-9-4-6(3-8-11(9)19-20-12(8)15)10-7-1-2-16-13(7)18-5-17-10/h3-8H,2H2,1H3,(H,16,17)(H3,15,18,19);1-5H,(H3,15,19,20)(H,16,17,18).
What are the key properties of 7-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine;5-[2-(ethylamino)-4-pyridinyl]-1H-indazol-3-amine?
7-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine;5-[2-(ethylamino)-4-pyridinyl]-1H-indazol-3-amine has a molecular weight of 582.47 g/mol, XLogP of 5.48, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-indazol-3-amine;5-[2-(ethylamino)-4-pyridinyl]-1H-indazol-3-amine is sourced from PubChem (CID 170351784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).