4-bromopyridin-2-amine;4,5,6,7-tetrahydro-1H-indazole;4-(4,5,6,7-tetrahydroindazol-2-yl)pyridin-2-amine

C24H29BrN8 — CID 161061831

IUPAC4-bromopyridin-2-amine;4,5,6,7-tetrahydro-1H-indazole;4-(4,5,6,7-tetrahydroindazol-2-yl)pyridin-2-amine
SMILESNc1cc(-n2cc3c(n2)CCCC3)ccn1.Nc1cc(Br)ccn1.c1n[nH]c2c1CCCC2
InChIInChI=1S/C12H14N4.C7H10N2.C5H5BrN2/c13-12-7-10(5-6-14-12)16-8-9-3-1-2-4-11(9)15-16;1-2-4-7-6(3-1)5-8-9-7;6-4-1-2-8-5(7)3-4/h5-8H,1-4H2,(H2,13,14);5H,1-4H2,(H,8,9);1-3H,(H2,7,8)
InChIKeyUDMOTWWCFNSXCH-UHFFFAOYSA-N
MW509.46 g/mol
LogP4.44
Rot. Bonds1

About 4-bromopyridin-2-amine;4,5,6,7-tetrahydro-1H-indazole;4-(4,5,6,7-tetrahydroindazol-2-yl)pyridin-2-amine

4-bromopyridin-2-amine;4,5,6,7-tetrahydro-1H-indazole;4-(4,5,6,7-tetrahydroindazol-2-yl)pyridin-2-amine (PubChem CID 161061831) has the molecular formula C24H29BrN8 and a molecular weight of 509.46 g/mol. Its IUPAC name is 4-bromopyridin-2-amine;4,5,6,7-tetrahydro-1H-indazole;4-(4,5,6,7-tetrahydroindazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-bromopyridin-2-amine;4,5,6,7-tetrahydro-1H-indazole;4-(4,5,6,7-tetrahydroindazol-2-yl)pyridin-2-amine
PubChem CID161061831
Molecular FormulaC24H29BrN8
Molecular Weight509.46 g/mol
Exact Mass508.17
IUPAC Name4-bromopyridin-2-amine;4,5,6,7-tetrahydro-1H-indazole;4-(4,5,6,7-tetrahydroindazol-2-yl)pyridin-2-amine
SMILESNc1cc(-n2cc3c(n2)CCCC3)ccn1.Nc1cc(Br)ccn1.c1n[nH]c2c1CCCC2
InChIInChI=1S/C12H14N4.C7H10N2.C5H5BrN2/c13-12-7-10(5-6-14-12)16-8-9-3-1-2-4-11(9)15-16;1-2-4-7-6(3-1)5-8-9-7;6-4-1-2-8-5(7)3-4/h5-8H,1-4H2,(H2,13,14);5H,1-4H2,(H,8,9);1-3H,(H2,7,8)
InChIKeyUDMOTWWCFNSXCH-UHFFFAOYSA-N
XLogP4.44
TPSA124.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.46
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(5Z)-5-(3-Bromocyclohexa-2,5-dien-1-ylidene)-N-(pyridin-4-ylmethyl)-1,5-dihydro[1,2,4]triazolo[1,5-A]pyrimidin-7-amine
CID 5327131
5-(1-ethylpyrazol-4-yl)-3-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 71253958
N-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 46913411
N-(3-(4-Amino-6-methyl-1,3,5-triazin-2-YL)pyridin-2-YL)-1H-indazol-4-amine
CID 49784893
N-[3-(6-amino-2-methylpyrimidin-4-yl)-2-pyridinyl]-1H-indazol-4-amine
CID 59548454
N-cyclohexyl-3-(1-methylpyrazol-4-yl)-1H-pyrazolo[4,3-c]pyridin-4-amine
CID 59618916
5-bromo-4-N-(1H-indazol-6-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 141481844
3-(1-benzylpyrazol-4-yl)-5-bromo-2H-pyrazolo[3,4-b]pyridine
CID 164623335
1-[6-(1,4-diazepan-1-yl)-2-pyridinyl]-6-(1H-pyrazol-4-yl)pyrazolo[4,3-c]pyridine
CID 72715619
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-[2-(1H-pyrazol-4-yl)ethyl]urea
CID 92044735
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
CID 92044810
(5Z)-5-(3-Bromocyclohexa-2,5-dien-1-ylidene)-N-(pyridin-4-ylmethyl)-1,5-dihydropyrazolo(1,5-A)pyrimidin-7-amine
CID 5327130

Frequently Asked Questions

What is the IUPAC name of 4-bromopyridin-2-amine;4,5,6,7-tetrahydro-1H-indazole;4-(4,5,6,7-tetrahydroindazol-2-yl)pyridin-2-amine?
The IUPAC name of 4-bromopyridin-2-amine;4,5,6,7-tetrahydro-1H-indazole;4-(4,5,6,7-tetrahydroindazol-2-yl)pyridin-2-amine (CID 161061831) is 4-bromopyridin-2-amine;4,5,6,7-tetrahydro-1H-indazole;4-(4,5,6,7-tetrahydroindazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 4-bromopyridin-2-amine;4,5,6,7-tetrahydro-1H-indazole;4-(4,5,6,7-tetrahydroindazol-2-yl)pyridin-2-amine?
The canonical SMILES for 4-bromopyridin-2-amine;4,5,6,7-tetrahydro-1H-indazole;4-(4,5,6,7-tetrahydroindazol-2-yl)pyridin-2-amine is Nc1cc(-n2cc3c(n2)CCCC3)ccn1.Nc1cc(Br)ccn1.c1n[nH]c2c1CCCC2.
What is the InChIKey of 4-bromopyridin-2-amine;4,5,6,7-tetrahydro-1H-indazole;4-(4,5,6,7-tetrahydroindazol-2-yl)pyridin-2-amine?
The InChIKey is UDMOTWWCFNSXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4.C7H10N2.C5H5BrN2/c13-12-7-10(5-6-14-12)16-8-9-3-1-2-4-11(9)15-16;1-2-4-7-6(3-1)5-8-9-7;6-4-1-2-8-5(7)3-4/h5-8H,1-4H2,(H2,13,14);5H,1-4H2,(H,8,9);1-3H,(H2,7,8).
What are the key properties of 4-bromopyridin-2-amine;4,5,6,7-tetrahydro-1H-indazole;4-(4,5,6,7-tetrahydroindazol-2-yl)pyridin-2-amine?
4-bromopyridin-2-amine;4,5,6,7-tetrahydro-1H-indazole;4-(4,5,6,7-tetrahydroindazol-2-yl)pyridin-2-amine has a molecular weight of 509.46 g/mol, XLogP of 4.44, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromopyridin-2-amine;4,5,6,7-tetrahydro-1H-indazole;4-(4,5,6,7-tetrahydroindazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 161061831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).